N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide

C14H21NO2 — CID 113258887

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-7-11(2)14(17)15-13(10-16)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3,(H,15,17)/t11?,13-/m0/s1
InChIKeyVRBBNYOTSWTWAO-YUZLPWPTSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide (PubChem CID 113258887) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
PubChem CID113258887
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-7-11(2)14(17)15-13(10-16)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3,(H,15,17)/t11?,13-/m0/s1
InChIKeyVRBBNYOTSWTWAO-YUZLPWPTSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methyl-5-phenylpentanamide
CID 90025591
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide (CID 113258887) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide is CCCC(C)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide?
The InChIKey is VRBBNYOTSWTWAO-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-7-11(2)14(17)15-13(10-16)12-8-5-4-6-9-12/h4-6,8-9,11,13,16H,3,7,10H2,1-2H3,(H,15,17)/t11?,13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide is sourced from PubChem (CID 113258887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).