(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide

C15H24N2O — CID 62315395

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc(CCNC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-5-7-12(10-11)8-9-17-14(18)13(16)15(2,3)4/h5-7,10,13H,8-9,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyNTJPKOYTOFPSMG-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide (PubChem CID 62315395) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
PubChem CID62315395
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCc1cccc(CCNC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11-6-5-7-12(10-11)8-9-17-14(18)13(16)15(2,3)4/h5-7,10,13H,8-9,16H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyNTJPKOYTOFPSMG-CYBMUJFWSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110838222
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119301513
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
3-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 63794615
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850
2-[tert-butyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]acetic acid
CID 79264465
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide (CID 62315395) is (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide is Cc1cccc(CCNC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
The InChIKey is NTJPKOYTOFPSMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-5-7-12(10-11)8-9-17-14(18)13(16)15(2,3)4/h5-7,10,13H,8-9,16H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 62315395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).