N-(3-acetamidophenyl)cyclobutanecarboxamide

C13H16N2O2 — CID 2666370

IUPACN-(3-acetamidophenyl)cyclobutanecarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-11-6-3-7-12(8-11)15-13(17)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyDYIVFCKECVHUGS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.38
Rot. Bonds3

About N-(3-acetamidophenyl)cyclobutanecarboxamide

N-(3-acetamidophenyl)cyclobutanecarboxamide (PubChem CID 2666370) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-acetamidophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)cyclobutanecarboxamide
PubChem CID2666370
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-acetamidophenyl)cyclobutanecarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-11-6-3-7-12(8-11)15-13(17)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16)(H,15,17)
InChIKeyDYIVFCKECVHUGS-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-acetamidophenyl)cyclobutanecarboxamide (CID 2666370) is N-(3-acetamidophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-acetamidophenyl)cyclobutanecarboxamide is CC(=O)Nc1cccc(NC(=O)C2CCC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)cyclobutanecarboxamide?
The InChIKey is DYIVFCKECVHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-11-6-3-7-12(8-11)15-13(17)10-4-2-5-10/h3,6-8,10H,2,4-5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamidophenyl)cyclobutanecarboxamide?
N-(3-acetamidophenyl)cyclobutanecarboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 2666370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).