2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid

C15H21NO4 — CID 119192325

IUPAC2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccc(OCC)c1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-9-15(3,14(18)19)16-13(17)11-7-6-8-12(10-11)20-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOHBMSRYLMGKNDB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds7

About 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid

2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 119192325) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID119192325
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cccc(OCC)c1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-9-15(3,14(18)19)16-13(17)11-7-6-8-12(10-11)20-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOHBMSRYLMGKNDB-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic 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

N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 116566228
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 120516977

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid (CID 119192325) is 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cccc(OCC)c1)C(=O)O.
What is the InChIKey of 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is OHBMSRYLMGKNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-9-15(3,14(18)19)16-13(17)11-7-6-8-12(10-11)20-5-2/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid?
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 119192325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).