Urea, N,N'-bis(phenylmethyl)-
PubChem CID: 72889
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| Compound Synonyms | 1,3-Dibenzylurea, 1466-67-7, N,N'-Dibenzylurea, Urea, N,N'-bis(phenylmethyl)-, sym-Dibenzylurea, 1,3-dibenzyl urea, 1,3-Dibenzyl-urea, ZV725XJ34V, EINECS 215-984-9, NSC 408007, NSC-408007, AI3-19855, CHEMBL504463, DTXSID3061710, N,N'-BIS(PHENYLMETHYL)UREA, dibenzylurea, Lacosamide Impurity C, N,N'-Bis(phenylmethyl)urea, N,N'-Dibenzylurea, sym-Dibenzylurea, MFCD00276302, NSC408007, N,N'-Dibenzylharnstoff, UNII-ZV725XJ34V, Oprea1_448978, Urea,N'-bis(phenylmethyl)-, SCHEMBL714625, DTXCID0034770, N,Na(2)-Bis(phenylmethyl)urea, HMS1697A06, BAA46667, BBL104302, BDBM50248768, CCG-48904, STK008269, AKOS000312988, AB89805, FS-5664, PD179184, CS-0149842, NS00024797, EN300-04024, W13186, 10.14272/KATOLVAXCGIBLO-UHFFFAOYSA-N.1, AE-641/00663038, doi:10.14272/KATOLVAXCGIBLO-UHFFFAOYSA-N.1, SR-01000638399-1, Z56896289, 215-984-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)CCC1CCCCC1 |
| Np Classifier Class | Dipeptides, Phenylalanine-derived alkaloids |
| Deep Smiles | O=CNCcccccc6))))))))NCcccccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(NCC1CCCCC1)NCC1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35433 |
| Iupac Name | 1,3-dibenzylurea |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H16N2O |
| Scaffold Graph Node Bond Level | O=C(NCc1ccccc1)NCc1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KATOLVAXCGIBLO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.775 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.797 |
| Synonyms | 1,3-dibenzylurea, n,n'-dibenzyl urea, n,n’-dibenzyl urea, sym.dibenzylurea |
| Esol Class | Soluble |
| Functional Groups | CNC(=O)NC |
| Compound Name | Urea, N,N'-bis(phenylmethyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.126 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 240.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.313930533333333 |
| Inchi | InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18) |
| Smiles | C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC=C2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids, Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Excoecaria Acerifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garrya Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Goupia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Helipterum Gnaphaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363130 - 8. Outgoing r'ship
FOUND_INto/from Medinilla Magnifica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Mesua Ferrea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Monopteryx Uaucu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
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FOUND_INto/from Onobrychis Bobrovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Papaver Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Petteria Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Salvadora Oleoides (Plant) Rel Props:Reference:ISBN:9788185042053 - 16. Outgoing r'ship
FOUND_INto/from Senecio Cathcartensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Sequoia Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Trifolium Strepens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all