4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide

C16H24N2O2 — CID 60996320

IUPAC4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2ccccc2OC)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-3-12-8-10-16(11-9-12,15(17)19)18-13-6-4-5-7-14(13)20-2/h4-7,12,18H,3,8-11H2,1-2H3,(H2,17,19)
InChIKeyOAMFRRBSQVCTAQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds5

About 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide

4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide (PubChem CID 60996320) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
PubChem CID60996320
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
SMILESCCC1CCC(Nc2ccccc2OC)(C(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-3-12-8-10-16(11-9-12,15(17)19)18-13-6-4-5-7-14(13)20-2/h4-7,12,18H,3,8-11H2,1-2H3,(H2,17,19)
InChIKeyOAMFRRBSQVCTAQ-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166159
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
4-ethyl-1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54891733
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
1-(2-bromoanilino)-4-methoxycyclohexane-1-carboxamide
CID 113414494
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide (CID 60996320) is 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide is CCC1CCC(Nc2ccccc2OC)(C(N)=O)CC1.
What is the InChIKey of 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide?
The InChIKey is OAMFRRBSQVCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-8-10-16(11-9-12,15(17)19)18-13-6-4-5-7-14(13)20-2/h4-7,12,18H,3,8-11H2,1-2H3,(H2,17,19).
What are the key properties of 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide?
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 60996320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).