3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid

C15H20N2O4 — CID 62963858

IUPAC3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(7-14(19)20)6-13(18)17-12-8-11(15(21)16-3)5-4-10(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyKEPKJVBAIIHZFQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.79
Rot. Bonds6

About 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid

3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid (PubChem CID 62963858) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
PubChem CID62963858
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(7-14(19)20)6-13(18)17-12-8-11(15(21)16-3)5-4-10(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyKEPKJVBAIIHZFQ-UHFFFAOYSA-N
XLogP1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic 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-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
5-(5-iodo-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 114257128
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid (CID 62963858) is 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid is CNC(=O)c1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1.
What is the InChIKey of 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is KEPKJVBAIIHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(7-14(19)20)6-13(18)17-12-8-11(15(21)16-3)5-4-10(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 62963858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).