2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid

C15H22N2O3 — CID 63653539

IUPAC2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1ccc(C)c(C(=O)O)c1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-5-8-17(10(2)3)15(20)16-12-7-6-11(4)13(9-12)14(18)19/h6-7,9-10H,5,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyAFUYRNVVCGSTAO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid

2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid (PubChem CID 63653539) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
PubChem CID63653539
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
SMILESCCCN(C(=O)Nc1ccc(C)c(C(=O)O)c1)C(C)C
InChIInChI=1S/C15H22N2O3/c1-5-8-17(10(2)3)15(20)16-12-7-6-11(4)13(9-12)14(18)19/h6-7,9-10H,5,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyAFUYRNVVCGSTAO-UHFFFAOYSA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]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

5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
2-fluoro-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61193998
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
3-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340617
1-(3-amino-3-hydroxyiminopropyl)-3-(3-chloro-4-methylphenyl)-1-propan-2-ylurea
CID 76911557
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61194367
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653892
2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid (CID 63653539) is 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid is CCCN(C(=O)Nc1ccc(C)c(C(=O)O)c1)C(C)C.
What is the InChIKey of 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
The InChIKey is AFUYRNVVCGSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-8-17(10(2)3)15(20)16-12-7-6-11(4)13(9-12)14(18)19/h6-7,9-10H,5,8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid?
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63653539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).