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

C15H23N3O2 — CID 61179907

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-9(2)7-12(16)15(20)18-13-8-11(14(19)17-4)6-5-10(13)3/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyXCDVRPCZKXESQE-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.67
Rot. Bonds5

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

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide (PubChem CID 61179907) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
PubChem CID61179907
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-9(2)7-12(16)15(20)18-13-8-11(14(19)17-4)6-5-10(13)3/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyXCDVRPCZKXESQE-LBPRGKRZSA-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)-2-amino-4-methylpentanoyl]amino]-4-methylbenzamide
CID 119711747
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide (CID 61179907) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide?
The InChIKey is XCDVRPCZKXESQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)7-12(16)15(20)18-13-8-11(14(19)17-4)6-5-10(13)3/h5-6,8-9,12H,7,16H2,1-4H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide?
3-[[(2S)-2-amino-4-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-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 61179907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).