1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea

C18H22N2O2 — CID 110775172

IUPAC1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H22N2O2/c1-13-14(2)17(22-3)10-9-16(13)12-20-18(21)19-11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyFAMUTOFPHRPDCK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds5

About 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea

1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea (PubChem CID 110775172) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
PubChem CID110775172
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H22N2O2/c1-13-14(2)17(22-3)10-9-16(13)12-20-18(21)19-11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyFAMUTOFPHRPDCK-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)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

3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea (CID 110775172) is 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea is COc1ccc(CNC(=O)NCc2ccccc2)c(C)c1C.
What is the InChIKey of 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea?
The InChIKey is FAMUTOFPHRPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-14(2)17(22-3)10-9-16(13)12-20-18(21)19-11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea?
1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea is sourced from PubChem (CID 110775172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).