4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid

C16H16N2O4 — CID 108869139

IUPAC4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
SMILESCOc1cccc(NC(=O)NCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16N2O4/c1-22-14-4-2-3-13(9-14)18-16(21)17-10-11-5-7-12(8-6-11)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYOEQXMHSCKBSKA-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.72
Rot. Bonds5

About 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid

4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid (PubChem CID 108869139) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
PubChem CID108869139
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
SMILESCOc1cccc(NC(=O)NCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H16N2O4/c1-22-14-4-2-3-13(9-14)18-16(21)17-10-11-5-7-12(8-6-11)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyYOEQXMHSCKBSKA-UHFFFAOYSA-N
XLogP2.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid 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

1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
4-[[[3-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]methyl]benzoic acid
CID 122075512
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
4-[[[1-(3-methoxyphenyl)cyclopropyl]methylcarbamoylamino]methyl]benzoic acid
CID 122014637
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid?
The IUPAC name of 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid (CID 108869139) is 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid is COc1cccc(NC(=O)NCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid?
The InChIKey is YOEQXMHSCKBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-4-2-3-13(9-14)18-16(21)17-10-11-5-7-12(8-6-11)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid?
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid is sourced from PubChem (CID 108869139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).