N-(4-acetylphenyl)oxolane-2-carboxamide

C13H15NO3 — CID 3155118

IUPACN-(4-acetylphenyl)oxolane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H15NO3/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,16)
InChIKeyJKCKIMJFFGXHTG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds3

About N-(4-acetylphenyl)oxolane-2-carboxamide

N-(4-acetylphenyl)oxolane-2-carboxamide (PubChem CID 3155118) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)oxolane-2-carboxamide
PubChem CID3155118
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(4-acetylphenyl)oxolane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H15NO3/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,16)
InChIKeyJKCKIMJFFGXHTG-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)oxolane-2-carboxamide (CID 3155118) is N-(4-acetylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)oxolane-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-(4-acetylphenyl)oxolane-2-carboxamide?
The InChIKey is JKCKIMJFFGXHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-(4-acetylphenyl)oxolane-2-carboxamide?
N-(4-acetylphenyl)oxolane-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 3155118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).