(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide

C14H21NO2 — CID 131853955

IUPAC(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)[C@H](O)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-10(2)12(16)13(17)15-14(3,4)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyAMSBOBWOLHPONH-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds4

About (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide

(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide (PubChem CID 131853955) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
PubChem CID131853955
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)[C@H](O)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-10(2)12(16)13(17)15-14(3,4)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyAMSBOBWOLHPONH-LBPRGKRZSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-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

2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
2-phenylpropan-2-ylcarbamic acid
CID 23445609
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
CID 114264096
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
ethane;2-hydroxy-2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide
CID 54094924
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The IUPAC name of (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide (CID 131853955) is (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide is CC(C)[C@H](O)C(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The InChIKey is AMSBOBWOLHPONH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)12(16)13(17)15-14(3,4)11-8-6-5-7-9-11/h5-10,12,16H,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 131853955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).