(2S)-N-benzyl-2-hydroxy-4-methylpentanamide

C13H19NO2 — CID 10822877

IUPAC(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(15)13(16)14-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyWTYBKQQKIQVOET-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds5

About (2S)-N-benzyl-2-hydroxy-4-methylpentanamide

(2S)-N-benzyl-2-hydroxy-4-methylpentanamide (PubChem CID 10822877) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-N-benzyl-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
PubChem CID10822877
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-12(15)13(16)14-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyWTYBKQQKIQVOET-LBPRGKRZSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085
N-benzyl-2-hydroxypentanamide
CID 141058656
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylaminomethyl)hexanamide
CID 70953139
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide
CID 138980776
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-2-amino-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 15296843
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-N-benzyl-2-hydroxy-4-methylpentanamide (CID 10822877) is (2S)-N-benzyl-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-N-benzyl-2-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-N-benzyl-2-hydroxy-4-methylpentanamide is CC(C)C[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-hydroxy-4-methylpentanamide?
The InChIKey is WTYBKQQKIQVOET-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-12(15)13(16)14-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-hydroxy-4-methylpentanamide?
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 10822877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).