N-(3-acetylphenyl)oxolane-3-carboxamide

C13H15NO3 — CID 61276696

IUPACN-(3-acetylphenyl)oxolane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)14-13(16)11-5-6-17-8-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyPWTCMDFIGODJAW-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds3

About N-(3-acetylphenyl)oxolane-3-carboxamide

N-(3-acetylphenyl)oxolane-3-carboxamide (PubChem CID 61276696) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-acetylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)oxolane-3-carboxamide
PubChem CID61276696
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(3-acetylphenyl)oxolane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCOC2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)14-13(16)11-5-6-17-8-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyPWTCMDFIGODJAW-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-[3-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982117
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
(3R)-N-[3-(tert-butylsulfamoyl)phenyl]oxolane-3-carboxamide
CID 94824302
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)oxolane-3-carboxamide (CID 61276696) is N-(3-acetylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)oxolane-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-(3-acetylphenyl)oxolane-3-carboxamide?
The InChIKey is PWTCMDFIGODJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)14-13(16)11-5-6-17-8-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)oxolane-3-carboxamide?
N-(3-acetylphenyl)oxolane-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61276696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).