3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide

C14H21N3O3 — CID 61179555

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)6-10(15)14(19)17-11-7-9(13(16)18)4-5-12(11)20-3/h4-5,7-8,10H,6,15H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyQWIVIUKXHAAOJC-JTQLQIEISA-N
MW279.34 g/mol
LogP1.11
Rot. Bonds6

About 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide (PubChem CID 61179555) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
PubChem CID61179555
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)6-10(15)14(19)17-11-7-9(13(16)18)4-5-12(11)20-3/h4-5,7-8,10H,6,15H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyQWIVIUKXHAAOJC-JTQLQIEISA-N
XLogP1.11
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide 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

2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide (CID 61179555) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide?
The InChIKey is QWIVIUKXHAAOJC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)6-10(15)14(19)17-11-7-9(13(16)18)4-5-12(11)20-3/h4-5,7-8,10H,6,15H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide?
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 61179555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).