2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide

C15H17NO3 — CID 60815314

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1C#CCO
InChIInChI=1S/C15H17NO3/c17-9-3-5-12-4-1-2-6-14(12)15(18)16-13-7-10-19-11-8-13/h1-2,4,6,13,17H,7-11H2,(H,16,18)
InChIKeyHFFAYQPFFOEZRN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.94
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide (PubChem CID 60815314) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
PubChem CID60815314
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccccc1C#CCO
InChIInChI=1S/C15H17NO3/c17-9-3-5-12-4-1-2-6-14(12)15(18)16-13-7-10-19-11-8-13/h1-2,4,6,13,17H,7-11H2,(H,16,18)
InChIKeyHFFAYQPFFOEZRN-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.94
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

N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 64741251
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(oxan-3-yl)benzamide
CID 81112699

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide (CID 60815314) is 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide?
The InChIKey is HFFAYQPFFOEZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-9-3-5-12-4-1-2-6-14(12)15(18)16-13-7-10-19-11-8-13/h1-2,4,6,13,17H,7-11H2,(H,16,18).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 60815314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).