(2S)-4-methyl-2-phenylmethoxypentanamide

C13H19NO2 — CID 141033880

IUPAC(2S)-4-methyl-2-phenylmethoxypentanamide
SMILESCC(C)C[C@H](OCc1ccccc1)C(N)=O
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(13(14)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyLGBCEFPFVLIQMO-LBPRGKRZSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds6

About (2S)-4-methyl-2-phenylmethoxypentanamide

(2S)-4-methyl-2-phenylmethoxypentanamide (PubChem CID 141033880) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-4-methyl-2-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-phenylmethoxypentanamide
PubChem CID141033880
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-4-methyl-2-phenylmethoxypentanamide
SMILESCC(C)C[C@H](OCc1ccccc1)C(N)=O
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(13(14)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1
InChIKeyLGBCEFPFVLIQMO-LBPRGKRZSA-N
XLogP2.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide
CID 70241702
(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
CID 154369518
4-methyl-2-(1-oxo-1-phenylmethoxypropan-2-yl)pentanoic acid
CID 19087579
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
2-phenylmethoxybutanoic acid
CID 11816388
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-phenylmethoxypentanamide?
The IUPAC name of (2S)-4-methyl-2-phenylmethoxypentanamide (CID 141033880) is (2S)-4-methyl-2-phenylmethoxypentanamide.
What is the SMILES notation for (2S)-4-methyl-2-phenylmethoxypentanamide?
The canonical SMILES for (2S)-4-methyl-2-phenylmethoxypentanamide is CC(C)C[C@H](OCc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-phenylmethoxypentanamide?
The InChIKey is LGBCEFPFVLIQMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-12(13(14)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-phenylmethoxypentanamide?
(2S)-4-methyl-2-phenylmethoxypentanamide has a molecular weight of 221.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-phenylmethoxypentanamide is sourced from PubChem (CID 141033880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).