1,3-Bis[(3-methoxyphenyl)methyl]urea
PubChem CID: 18509381
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| Compound Synonyms | SCHEMBL3815151 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 59.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)CCC1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | COcccccc6)CNC=O)NCcccccc6)OC |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | OC(NCC1CCCCC1)NCC1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-bis[(3-methoxyphenyl)methyl]urea |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H20N2O3 |
| Scaffold Graph Node Bond Level | O=C(NCc1ccccc1)NCc1ccccc1 |
| Inchi Key | JZIDBUSSAJEFLR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | salvadourea |
| Esol Class | Soluble |
| Functional Groups | CNC(=O)NC, cOC |
| Compound Name | 1,3-Bis[(3-methoxyphenyl)methyl]urea |
| Exact Mass | 300.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.147 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.35 |
| 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 |
| Inchi | InChI=1S/C17H20N2O3/c1-21-15-7-3-5-13(9-15)11-18-17(20)19-12-14-6-4-8-16(10-14)22-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20) |
| Smiles | COC1=CC=CC(=C1)CNC(=O)NCC2=CC(=CC=C2)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Reference:ISBN:9780387706375