(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide

C15H23N3O2 — CID 61178466

IUPAC(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-9-6-7-11(8-12(9)17-10(2)19)18-14(20)13(16)15(3,4)5/h6-8,13H,16H2,1-5H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyOYNFLRLRALTHKQ-CYBMUJFWSA-N
MW277.37 g/mol
LogP2.27
Rot. Bonds3

About (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide

(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide (PubChem CID 61178466) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
PubChem CID61178466
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1C
InChIInChI=1S/C15H23N3O2/c1-9-6-7-11(8-12(9)17-10(2)19)18-14(20)13(16)15(3,4)5/h6-8,13H,16H2,1-5H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyOYNFLRLRALTHKQ-CYBMUJFWSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 119866426
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide (CID 61178466) is (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide is CC(=O)Nc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1C.
What is the InChIKey of (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is OYNFLRLRALTHKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-6-7-11(8-12(9)17-10(2)19)18-14(20)13(16)15(3,4)5/h6-8,13H,16H2,1-5H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide?
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 61178466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).