3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide

C15H23N3O2 — CID 119719976

IUPAC3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H23N3O2/c1-4-10(2)13(16)15(20)18-9-11-6-5-7-12(8-11)14(19)17-3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOWJOXFFOTKTKCI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds6

About 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide

3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide (PubChem CID 119719976) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
PubChem CID119719976
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
SMILESCCC(C)C(N)C(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C15H23N3O2/c1-4-10(2)13(16)15(20)18-9-11-6-5-7-12(8-11)14(19)17-3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOWJOXFFOTKTKCI-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719987
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
CID 119706304
3-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]benzoic acid
CID 63795309
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
CID 55795951

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide (CID 119719976) is 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide is CCC(C)C(N)C(=O)NCc1cccc(C(=O)NC)c1.
What is the InChIKey of 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide?
The InChIKey is OWJOXFFOTKTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10(2)13(16)15(20)18-9-11-6-5-7-12(8-11)14(19)17-3/h5-8,10,13H,4,9,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide?
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.04, 6 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]methyl]-N-methylbenzamide is sourced from PubChem (CID 119719976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).