(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide

C14H21NO2 — CID 11535992

IUPAC(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyBYNPOAFQNLYTPD-LBPRGKRZSA-N
MW235.33 g/mol
LogP1.89
Rot. Bonds4

About (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide

(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide (PubChem CID 11535992) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
PubChem CID11535992
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
SMILESCC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyBYNPOAFQNLYTPD-LBPRGKRZSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
N-lactoyl-phenylalanine
CID 11075454
3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-butyramide
CID 44355762
Bestatin-amido-Me
CID 71456533
N-[(S)-lactoyl]-L-phenylalanine
CID 155802542
N-Lactoylphenylalanine
CID 69759947
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
(E)-N-benzyl-2-hydroxyoctadec-9-en-11,13-diynamide
CID 44225154
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]pentanoic acid
CID 54120738
3-Hydroxy-5-[2-(2-methylphenyl)ethyl]piperidin-2-one
CID 121493750
3-Hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one
CID 121493751
3-Hydroxy-5-[2-(4-methylphenyl)ethyl]piperidin-2-one
CID 121493752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The IUPAC name of (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide (CID 11535992) is (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide is CC(C)(C)NC(=O)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide?
The InChIKey is BYNPOAFQNLYTPD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)15-13(17)12(16)10-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide?
(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 11535992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).