3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid

C16H16N2O4 — CID 6465167

IUPAC3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid
SMILESCOc1cccc(NC(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-7-11(15(19)20)8-14(10)18-16(21)17-12-4-3-5-13(9-12)22-2/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPATJQIXMYZRPNW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.35
Rot. Bonds4

About 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid

3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid (PubChem CID 6465167) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid
PubChem CID6465167
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid
SMILESCOc1cccc(NC(=O)Nc2cc(C(=O)O)ccc2C)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-7-11(15(19)20)8-14(10)18-16(21)17-12-4-3-5-13(9-12)22-2/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPATJQIXMYZRPNW-UHFFFAOYSA-N
XLogP3.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid 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 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid (CID 6465167) is 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid is COc1cccc(NC(=O)Nc2cc(C(=O)O)ccc2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid?
The InChIKey is PATJQIXMYZRPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-6-7-11(15(19)20)8-14(10)18-16(21)17-12-4-3-5-13(9-12)22-2/h3-9H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid?
3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)carbamoylamino]-4-methylbenzoic acid is sourced from PubChem (CID 6465167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).