3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide

C15H23N3O2 — CID 43711952

IUPAC3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
SMILESCCC(C)C(N)C(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-9(2)13(16)15(20)18-12-8-11(14(19)17-4)7-6-10(12)3/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyAUGBWAZDBJUMPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.67
Rot. Bonds5

About 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide

3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide (PubChem CID 43711952) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
PubChem CID43711952
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
SMILESCCC(C)C(N)C(=O)Nc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C15H23N3O2/c1-5-9(2)13(16)15(20)18-12-8-11(14(19)17-4)7-6-10(12)3/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyAUGBWAZDBJUMPP-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbenzamide
CID 61178927
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide (CID 43711952) is 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide is CCC(C)C(N)C(=O)Nc1cc(C(=O)NC)ccc1C.
What is the InChIKey of 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide?
The InChIKey is AUGBWAZDBJUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-9(2)13(16)15(20)18-12-8-11(14(19)17-4)7-6-10(12)3/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide?
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43711952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).