(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

C18H29NO2 — CID 11694982

IUPAC(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyRICQBOSCWJHQGV-HNNXBMFYSA-N
MW291.43 g/mol
LogP3.31
Rot. Bonds6

About (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 11694982) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID11694982
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyRICQBOSCWJHQGV-HNNXBMFYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)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

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-4-phenylbutyl)butanamide
CID 54754611
3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-butyramide
CID 44355762
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
(S)-2-Hydroxy-3-phenylpropanamide
CID 445263
3-hydroxy-2,2-dimethyl-7-phenyl-N-prop-2-enylheptanamide
CID 24894021
(2R,3R)-3-benzyl-2,4-dihydroxy-3-methyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
CID 54583494
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide;hydrochloride
CID 90675069
4-Hydroxy-2-ethyl-2-phenylglutarimide
CID 170822
N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
(2S)-N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215109
(2r)-2,4-Dihydroxy-N-[(3s)-3-Hydroxy-4-Phenylbutyl]-3,3-Dimethylbutanamide
CID 86287486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 11694982) is (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)(C)CC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is RICQBOSCWJHQGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)13-18(4,5)19-16(21)15(20)12-11-14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 291.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 11694982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).