4-[(2-amino-3-methylpentanoyl)amino]benzamide

C13H19N3O2 — CID 24711827

IUPAC4-[(2-amino-3-methylpentanoyl)amino]benzamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-3-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(15)17/h4-8,11H,3,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyORPDCYFOEQUHPU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds5

About 4-[(2-amino-3-methylpentanoyl)amino]benzamide

4-[(2-amino-3-methylpentanoyl)amino]benzamide (PubChem CID 24711827) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]benzamide
PubChem CID24711827
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]benzamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-3-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(15)17/h4-8,11H,3,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyORPDCYFOEQUHPU-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

methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]benzamide?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]benzamide (CID 24711827) is 4-[(2-amino-3-methylpentanoyl)amino]benzamide.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]benzamide?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]benzamide is CCC(C)C(N)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]benzamide?
The InChIKey is ORPDCYFOEQUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-8(2)11(14)13(18)16-10-6-4-9(5-7-10)12(15)17/h4-8,11H,3,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]benzamide?
4-[(2-amino-3-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 4-[(2-amino-3-methylpentanoyl)amino]benzamide is sourced from PubChem (CID 24711827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).