N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide

C15H17NO3 — CID 65160499

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccccc1C#CCO
InChIInChI=1S/C15H17NO3/c17-9-3-6-12-5-1-2-8-14(12)16-15(18)11-13-7-4-10-19-13/h1-2,5,8,13,17H,4,7,9-11H2,(H,16,18)
InChIKeyGXHKYBMBGNYHIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.54
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65160499) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID65160499
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ccccc1C#CCO
InChIInChI=1S/C15H17NO3/c17-9-3-6-12-5-1-2-8-14(12)16-15(18)11-13-7-4-10-19-13/h1-2,5,8,13,17H,4,7,9-11H2,(H,16,18)
InChIKeyGXHKYBMBGNYHIQ-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.54
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-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(oxan-2-yl)acetamide
CID 102820893
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 79163303

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide (CID 65160499) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is GXHKYBMBGNYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-9-3-6-12-5-1-2-8-14(12)16-15(18)11-13-7-4-10-19-13/h1-2,5,8,13,17H,4,7,9-11H2,(H,16,18).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65160499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).