(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide

C16H18N2O3 — CID 125142273

IUPAC(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide
SMILESC[C@](O)(CCc1ccccc1)C(=O)Nc1ncccc1O
InChIInChI=1S/C16H18N2O3/c1-16(21,10-9-12-6-3-2-4-7-12)15(20)18-14-13(19)8-5-11-17-14/h2-8,11,19,21H,9-10H2,1H3,(H,17,18,20)/t16-/m0/s1
InChIKeyUOZJPMJPPPYVBU-INIZCTEOSA-N
MW286.33 g/mol
LogP2.11
Rot. Bonds5

About (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide

(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide (PubChem CID 125142273) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide
PubChem CID125142273
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide
SMILESC[C@](O)(CCc1ccccc1)C(=O)Nc1ncccc1O
InChIInChI=1S/C16H18N2O3/c1-16(21,10-9-12-6-3-2-4-7-12)15(20)18-14-13(19)8-5-11-17-14/h2-8,11,19,21H,9-10H2,1H3,(H,17,18,20)/t16-/m0/s1
InChIKeyUOZJPMJPPPYVBU-INIZCTEOSA-N
XLogP2.11
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide?
The IUPAC name of (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide (CID 125142273) is (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide?
The canonical SMILES for (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide is C[C@](O)(CCc1ccccc1)C(=O)Nc1ncccc1O.
What is the InChIKey of (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide?
The InChIKey is UOZJPMJPPPYVBU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(21,10-9-12-6-3-2-4-7-12)15(20)18-14-13(19)8-5-11-17-14/h2-8,11,19,21H,9-10H2,1H3,(H,17,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide?
(2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide has a molecular weight of 286.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-(3-hydroxy-2-pyridinyl)-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 125142273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).