5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
PubChem CID: 11115326
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| Compound Synonyms | 31127-80-7, 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-Acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 1,3-BENZENEDICARBOXAMIDE, 5-(ACETYLAMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, HYDROLYSATE, Iomeprol hydrolysate-1, 5-acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, BK2UH2P436, MFCD08063354, Isophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, (+/-)-5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, 5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 66108-90-5, Iodixanol impurity B [EP], UNII-BK2UH2P436, C16H20I3N3O7, Iohexol impurity A, Iohexol specified impurity A [EP], 5-(Acetylamino)-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, SCHEMBL619944, DTXSID20953226, BCP21172, AC7510, 5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide, AKOS015900494, AB43488, AC-2654, FA17102, HY-W130190, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxamide, IOHEXOL IMPURITY A [EP IMPURITY], AS-74207, SY002416, IODIXANOL IMPURITY B [EP IMPURITY], DB-047970, A2169, CS-0188286, NS00077895, Q27274719, 5-Acetamido-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, 5-Acetamido-N,N`-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo isophthalamide, 5-(Acetamido)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-ACETAMIDO-N,N?-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE, 5-acetamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzene-dicarboxamide, 5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-Acetamido-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[(1-hydroxyethylidene)amino]-2,4,6-triiodobenzene-1,3-dicarboximidic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple amide alkaloids |
| Deep Smiles | OCCCNC=O)ccI)cC=O)NCCCO))O)))))ccc6I))NC=O)C))))I))))))))O |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
| Class | Benzene and substituted derivatives |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | -2.3 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H20I3N3O7 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | BHCBLTRDEYPMFZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | hydrolysate |
| Esol Class | Soluble |
| Functional Groups | CO, cC(=O)NC, cI, cNC(C)=O |
| Compound Name | 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide |
| Kingdom | Organic compounds |
| Exact Mass | 746.843 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 746.843 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 747.06 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25) |
| Smiles | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Acylaminobenzoic acid and derivatives |
| Np Classifier Superclass | Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Nil (Plant) Rel Props:Reference:ISBN:9788172361150