(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide

C16H18N2O2 — CID 58860946

IUPAC(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide
SMILESC[C@](O)(CCc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-16(20,10-7-13-5-3-2-4-6-13)15(19)18-14-8-11-17-12-9-14/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,17,18,19)/t16-/m0/s1
InChIKeyOKCOOUDNLSHHHP-INIZCTEOSA-N
MW270.33 g/mol
LogP2.40
Rot. Bonds5

About (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide

(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide (PubChem CID 58860946) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide
PubChem CID58860946
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide
SMILESC[C@](O)(CCc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C16H18N2O2/c1-16(20,10-7-13-5-3-2-4-6-13)15(19)18-14-8-11-17-12-9-14/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,17,18,19)/t16-/m0/s1
InChIKeyOKCOOUDNLSHHHP-INIZCTEOSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide (CID 58860946) is (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide is C[C@](O)(CCc1ccccc1)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide?
The InChIKey is OKCOOUDNLSHHHP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(20,10-7-13-5-3-2-4-6-13)15(19)18-14-8-11-17-12-9-14/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,17,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide?
(2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide has a molecular weight of 270.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-4-phenyl-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 58860946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).