2-[(2-amino-4-methylpentanoyl)amino]benzamide

C13H19N3O2 — CID 24702801

IUPAC2-[(2-amino-4-methylpentanoyl)amino]benzamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAZVAFMXPJVVWQQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds5

About 2-[(2-amino-4-methylpentanoyl)amino]benzamide

2-[(2-amino-4-methylpentanoyl)amino]benzamide (PubChem CID 24702801) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)amino]benzamide
PubChem CID24702801
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(2-amino-4-methylpentanoyl)amino]benzamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAZVAFMXPJVVWQQ-UHFFFAOYSA-N
XLogP1.10
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
CID 825309
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164
2-(2-bromopropanoylamino)benzamide
CID 14588064
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]benzamide?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]benzamide (CID 24702801) is 2-[(2-amino-4-methylpentanoyl)amino]benzamide.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)amino]benzamide?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)amino]benzamide is CC(C)CC(N)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)amino]benzamide?
The InChIKey is AZVAFMXPJVVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)amino]benzamide?
2-[(2-amino-4-methylpentanoyl)amino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylpentanoyl)amino]benzamide is sourced from PubChem (CID 24702801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).