N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide

C14H18N2O2 — CID 113095001

IUPACN-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)C2CCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(17)15-12-6-8-13(9-7-12)16(2)14(18)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,17)
InChIKeyWCNIYUKCOMJHEK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds3

About N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide

N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide (PubChem CID 113095001) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
PubChem CID113095001
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)C2CCC2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(17)15-12-6-8-13(9-7-12)16(2)14(18)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,17)
InChIKeyWCNIYUKCOMJHEK-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide (CID 113095001) is N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide is CC(=O)Nc1ccc(N(C)C(=O)C2CCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide?
The InChIKey is WCNIYUKCOMJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)15-12-6-8-13(9-7-12)16(2)14(18)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide?
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 113095001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).