2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide

C18H21N3O3 — CID 42766024

IUPAC2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-5-15(10-13(12)2)21-18(23)19-11-17(22)20-14-6-8-16(24-3)9-7-14/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyIHYNUBLPYBMBBP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide

2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 42766024) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID42766024
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-4-5-15(10-13(12)2)21-18(23)19-11-17(22)20-14-6-8-16(24-3)9-7-14/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23)
InChIKeyIHYNUBLPYBMBBP-UHFFFAOYSA-N
XLogP3.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide 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

2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
CID 71451934
1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
CID 4623605
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide (CID 42766024) is 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is IHYNUBLPYBMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-5-15(10-13(12)2)21-18(23)19-11-17(22)20-14-6-8-16(24-3)9-7-14/h4-10H,11H2,1-3H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide?
2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42766024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).