(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide

C16H26N2O — CID 22690860

IUPAC(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-11(2)14(17)15(19)18-13-9-7-12(8-10-13)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyOXTZKZRGEBATQN-IAXJKZSUSA-N
MW262.40 g/mol
LogP3.30
Rot. Bonds4

About (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide

(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide (PubChem CID 22690860) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
PubChem CID22690860
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-11(2)14(17)15(19)18-13-9-7-12(8-10-13)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyOXTZKZRGEBATQN-IAXJKZSUSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide 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

(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S)-2-amino-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpentanamide
CID 61172106
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide (CID 22690860) is (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide?
The InChIKey is OXTZKZRGEBATQN-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-11(2)14(17)15(19)18-13-9-7-12(8-10-13)16(3,4)5/h7-11,14H,6,17H2,1-5H3,(H,18,19)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide is sourced from PubChem (CID 22690860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).