3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide

C18H18N2O2 — CID 91660263

IUPAC3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
SMILESCC(O)(CC(=O)NCC#Cc1ccccn1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(22,15-8-3-2-4-9-15)14-17(21)20-13-7-11-16-10-5-6-12-19-16/h2-6,8-10,12,22H,13-14H2,1H3,(H,20,21)
InChIKeyLQQIXVHREARTTO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.85
Rot. Bonds4

About 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide

3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide (PubChem CID 91660263) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
PubChem CID91660263
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
SMILESCC(O)(CC(=O)NCC#Cc1ccccn1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-18(22,15-8-3-2-4-9-15)14-17(21)20-13-7-11-16-10-5-6-12-19-16/h2-6,8-10,12,22H,13-14H2,1H3,(H,20,21)
InChIKeyLQQIXVHREARTTO-UHFFFAOYSA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
2,4,5-trifluoro-N-(3-pyridin-2-ylprop-2-ynyl)benzamide
CID 84595317
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
CID 102477720
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
3-hydroxy-3-phenyl-N-quinolin-5-ylbutanamide
CID 110024307
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide (CID 91660263) is 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide is CC(O)(CC(=O)NCC#Cc1ccccn1)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide?
The InChIKey is LQQIXVHREARTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(22,15-8-3-2-4-9-15)14-17(21)20-13-7-11-16-10-5-6-12-19-16/h2-6,8-10,12,22H,13-14H2,1H3,(H,20,21).
What are the key properties of 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide?
3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide has a molecular weight of 294.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide is sourced from PubChem (CID 91660263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).