1-(3-methylanilino)cyclohexane-1-carboxamide

C14H20N2O — CID 54892073

IUPAC1-(3-methylanilino)cyclohexane-1-carboxamide
SMILESCc1cccc(NC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(10-11)16-14(13(15)17)8-3-2-4-9-14/h5-7,10,16H,2-4,8-9H2,1H3,(H2,15,17)
InChIKeyLQTPYGCYUVQHMO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.60
Rot. Bonds3

About 1-(3-methylanilino)cyclohexane-1-carboxamide

1-(3-methylanilino)cyclohexane-1-carboxamide (PubChem CID 54892073) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3-methylanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylanilino)cyclohexane-1-carboxamide
PubChem CID54892073
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3-methylanilino)cyclohexane-1-carboxamide
SMILESCc1cccc(NC2(C(N)=O)CCCCC2)c1
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(10-11)16-14(13(15)17)8-3-2-4-9-14/h5-7,10,16H,2-4,8-9H2,1H3,(H2,15,17)
InChIKeyLQTPYGCYUVQHMO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylanilino)-1,1-dioxothiane-4-carboxamide
CID 54983212
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylanilino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-methylanilino)cyclohexane-1-carboxamide (CID 54892073) is 1-(3-methylanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-methylanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-methylanilino)cyclohexane-1-carboxamide is Cc1cccc(NC2(C(N)=O)CCCCC2)c1.
What is the InChIKey of 1-(3-methylanilino)cyclohexane-1-carboxamide?
The InChIKey is LQTPYGCYUVQHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-5-7-12(10-11)16-14(13(15)17)8-3-2-4-9-14/h5-7,10,16H,2-4,8-9H2,1H3,(H2,15,17).
What are the key properties of 1-(3-methylanilino)cyclohexane-1-carboxamide?
1-(3-methylanilino)cyclohexane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54892073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).