N-[4-(oxolane-2-carbonyl)phenyl]acetamide

C13H15NO3 — CID 43160165

IUPACN-[4-(oxolane-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C2CCCO2)cc1
InChIInChI=1S/C13H15NO3/c1-9(15)14-11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,15)
InChIKeyGOSJYUBFFHBLQI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(oxolane-2-carbonyl)phenyl]acetamide

N-[4-(oxolane-2-carbonyl)phenyl]acetamide (PubChem CID 43160165) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[4-(oxolane-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(oxolane-2-carbonyl)phenyl]acetamide
PubChem CID43160165
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[4-(oxolane-2-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C2CCCO2)cc1
InChIInChI=1S/C13H15NO3/c1-9(15)14-11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,15)
InChIKeyGOSJYUBFFHBLQI-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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Related Compounds

(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
CID 18071014
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolane-2-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(oxolane-2-carbonyl)phenyl]acetamide (CID 43160165) is N-[4-(oxolane-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(oxolane-2-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(oxolane-2-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolane-2-carbonyl)phenyl]acetamide?
The InChIKey is GOSJYUBFFHBLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)14-11-6-4-10(5-7-11)13(16)12-3-2-8-17-12/h4-7,12H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-[4-(oxolane-2-carbonyl)phenyl]acetamide?
N-[4-(oxolane-2-carbonyl)phenyl]acetamide 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-(oxolane-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 43160165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).