N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide

C17H24N2O2 — CID 113094811

IUPACN-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(20)18(2)15-9-11-16(12-10-15)19(3)17(21)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyIORPXWYMCJQKOG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.21
Rot. Bonds3

About N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide

N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide (PubChem CID 113094811) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
PubChem CID113094811
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
SMILESCC(=O)N(C)c1ccc(N(C)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(20)18(2)15-9-11-16(12-10-15)19(3)17(21)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyIORPXWYMCJQKOG-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
N-methyl-N-(4-methylsulfonylphenyl)cyclopropanecarboxamide
CID 136579118

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide (CID 113094811) is N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide is CC(=O)N(C)c1ccc(N(C)C(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide?
The InChIKey is IORPXWYMCJQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)18(2)15-9-11-16(12-10-15)19(3)17(21)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide?
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 113094811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).