2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid

C21H24N2O4 — CID 119240343

IUPAC2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccc(C(=O)O)c(C)c2)C(C)C)c1
InChIInChI=1S/C21H24N2O4/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-16-8-9-17(21(26)27)14(4)11-16/h5-12,18H,1-4H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyRJNOIEJZUQCCND-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.39
Rot. Bonds6

About 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid

2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid (PubChem CID 119240343) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
PubChem CID119240343
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccc(C(=O)O)c(C)c2)C(C)C)c1
InChIInChI=1S/C21H24N2O4/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-16-8-9-17(21(26)27)14(4)11-16/h5-12,18H,1-4H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyRJNOIEJZUQCCND-UHFFFAOYSA-N
XLogP3.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]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

3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
N-[1-[4-(cyclopropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46553767
2-methyl-3-[4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]phenyl]propanoic acid
CID 120540979
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
N-[(2R)-1-(4-ethylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 42021580
S-[4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529844
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
ethyl (E)-3-[4-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]phenyl]prop-2-enoate
CID 34168651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid (CID 119240343) is 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid is Cc1cccc(C(=O)NC(C(=O)Nc2ccc(C(=O)O)c(C)c2)C(C)C)c1.
What is the InChIKey of 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid?
The InChIKey is RJNOIEJZUQCCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12(2)18(23-19(24)15-7-5-6-13(3)10-15)20(25)22-16-8-9-17(21(26)27)14(4)11-16/h5-12,18H,1-4H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid?
2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid has a molecular weight of 368.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid is sourced from PubChem (CID 119240343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).