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

C16H24N2O — CID 54891733

IUPAC4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2cccc(C)c2)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O/c1-3-13-7-9-16(10-8-13,15(17)19)18-14-6-4-5-12(2)11-14/h4-6,11,13,18H,3,7-10H2,1-2H3,(H2,17,19)
InChIKeyOWNSFLXXXCHADI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.23
Rot. Bonds4

About 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide

4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide (PubChem CID 54891733) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
PubChem CID54891733
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2cccc(C)c2)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O/c1-3-13-7-9-16(10-8-13,15(17)19)18-14-6-4-5-12(2)11-14/h4-6,11,13,18H,3,7-10H2,1-2H3,(H2,17,19)
InChIKeyOWNSFLXXXCHADI-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 60994222
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
4-(3-methylanilino)-1,1-dioxothiane-4-carboxamide
CID 54983212
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 60992420
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
ethyl 1-anilino-4-ethylcycloheptane-1-carboxylate
CID 65085501

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide (CID 54891733) is 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide is CCC1CCC(Nc2cccc(C)c2)(C(N)=O)CC1.
What is the InChIKey of 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide?
The InChIKey is OWNSFLXXXCHADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-7-9-16(10-8-13,15(17)19)18-14-6-4-5-12(2)11-14/h4-6,11,13,18H,3,7-10H2,1-2H3,(H2,17,19).
What are the key properties of 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide?
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).