N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide

C16H22N2O2 — CID 113094937

IUPACN-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(19)17-14-8-10-15(11-9-14)18(2)16(20)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,17,19)
InChIKeyDYGXLZWIHCJWOD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.19
Rot. Bonds3

About N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide

N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide (PubChem CID 113094937) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
PubChem CID113094937
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
SMILESCC(=O)Nc1ccc(N(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(19)17-14-8-10-15(11-9-14)18(2)16(20)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,17,19)
InChIKeyDYGXLZWIHCJWOD-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
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-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide (CID 113094937) is N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide is CC(=O)Nc1ccc(N(C)C(=O)C2CCCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide?
The InChIKey is DYGXLZWIHCJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(19)17-14-8-10-15(11-9-14)18(2)16(20)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide?
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.19, 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-methylcyclohexanecarboxamide is sourced from PubChem (CID 113094937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).