N-(3-acetylphenyl)cyclobutanecarboxamide

C13H15NO2 — CID 898301

IUPACN-(3-acetylphenyl)cyclobutanecarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H15NO2/c1-9(15)11-6-3-7-12(8-11)14-13(16)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16)
InChIKeySPQHZEZUSOSXDB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.63
Rot. Bonds3

About N-(3-acetylphenyl)cyclobutanecarboxamide

N-(3-acetylphenyl)cyclobutanecarboxamide (PubChem CID 898301) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-acetylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)cyclobutanecarboxamide
PubChem CID898301
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(3-acetylphenyl)cyclobutanecarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H15NO2/c1-9(15)11-6-3-7-12(8-11)14-13(16)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16)
InChIKeySPQHZEZUSOSXDB-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-acetylphenyl)cyclobutanecarboxamide (CID 898301) is N-(3-acetylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-acetylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-acetylphenyl)cyclobutanecarboxamide is CC(=O)c1cccc(NC(=O)C2CCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)cyclobutanecarboxamide?
The InChIKey is SPQHZEZUSOSXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)11-6-3-7-12(8-11)14-13(16)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)cyclobutanecarboxamide?
N-(3-acetylphenyl)cyclobutanecarboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 898301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).