1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea

C16H17N3O3 — CID 841363

IUPAC1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11-3-7-13(8-4-11)17-16(21)19-18-15(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyCNRWOGBSVPOFIA-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.47
Rot. Bonds3

About 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea

1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea (PubChem CID 841363) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea
PubChem CID841363
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea
SMILESCOc1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11-3-7-13(8-4-11)17-16(21)19-18-15(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyCNRWOGBSVPOFIA-UHFFFAOYSA-N
XLogP2.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea (CID 841363) is 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea is COc1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea?
The InChIKey is CNRWOGBSVPOFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-3-7-13(8-4-11)17-16(21)19-18-15(20)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea?
1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea has a molecular weight of 299.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxybenzoyl)amino]-3-(4-methylphenyl)urea is sourced from PubChem (CID 841363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).