3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea

C19H19N3O2 — CID 47049656

IUPAC3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-3-2-6-15(18)13-22(17-9-10-17)19(23)21-16-7-4-5-14(11-16)12-20/h2-8,11,17H,9-10,13H2,1H3,(H,21,23)
InChIKeyHWGYYDXRBWNVNM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.76
Rot. Bonds5

About 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea

3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 47049656) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
PubChem CID47049656
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-3-2-6-15(18)13-22(17-9-10-17)19(23)21-16-7-4-5-14(11-16)12-20/h2-8,11,17H,9-10,13H2,1H3,(H,21,23)
InChIKeyHWGYYDXRBWNVNM-UHFFFAOYSA-N
XLogP3.76
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 87018083
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552881
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea (CID 47049656) is 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(C(=O)Nc1cccc(C#N)c1)C1CC1.
What is the InChIKey of 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is HWGYYDXRBWNVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-8-3-2-6-15(18)13-22(17-9-10-17)19(23)21-16-7-4-5-14(11-16)12-20/h2-8,11,17H,9-10,13H2,1H3,(H,21,23).
What are the key properties of 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea?
3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-1-cyclopropyl-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 47049656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).