1-anilino-4-methylcyclohexane-1-carboxamide

C14H20N2O — CID 54889334

IUPAC1-anilino-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(Nc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C14H20N2O/c1-11-7-9-14(10-8-11,13(15)17)16-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H2,15,17)
InChIKeyNDKNVPIBHNKHEF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.53
Rot. Bonds3

About 1-anilino-4-methylcyclohexane-1-carboxamide

1-anilino-4-methylcyclohexane-1-carboxamide (PubChem CID 54889334) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-anilino-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-anilino-4-methylcyclohexane-1-carboxamide
PubChem CID54889334
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-anilino-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(Nc2ccccc2)(C(N)=O)CC1
InChIInChI=1S/C14H20N2O/c1-11-7-9-14(10-8-11,13(15)17)16-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H2,15,17)
InChIKeyNDKNVPIBHNKHEF-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
4-methyl-1-[4-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 61341954
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183

Frequently Asked Questions

What is the IUPAC name of 1-anilino-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-anilino-4-methylcyclohexane-1-carboxamide (CID 54889334) is 1-anilino-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-anilino-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-anilino-4-methylcyclohexane-1-carboxamide is CC1CCC(Nc2ccccc2)(C(N)=O)CC1.
What is the InChIKey of 1-anilino-4-methylcyclohexane-1-carboxamide?
The InChIKey is NDKNVPIBHNKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-7-9-14(10-8-11,13(15)17)16-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H2,15,17).
What are the key properties of 1-anilino-4-methylcyclohexane-1-carboxamide?
1-anilino-4-methylcyclohexane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 54889334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).