3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide

C17H26N2O2 — CID 79635080

IUPAC3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-4-19-17(16(18)20)9-5-6-15(11-17)21-14-8-7-12(2)13(3)10-14/h7-8,10,15,19H,4-6,9,11H2,1-3H3,(H2,18,20)
InChIKeyXJBKXVOTSGQKNT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide

3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide (PubChem CID 79635080) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide
PubChem CID79635080
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-4-19-17(16(18)20)9-5-6-15(11-17)21-14-8-7-12(2)13(3)10-14/h7-8,10,15,19H,4-6,9,11H2,1-3H3,(H2,18,20)
InChIKeyXJBKXVOTSGQKNT-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648842
3-(3,5-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648862
methyl 1-(ethylamino)-3-(4-fluorophenoxy)cyclohexane-1-carboxylate
CID 79635107
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide (CID 79635080) is 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(Oc2ccc(C)c(C)c2)C1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide?
The InChIKey is XJBKXVOTSGQKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19-17(16(18)20)9-5-6-15(11-17)21-14-8-7-12(2)13(3)10-14/h7-8,10,15,19H,4-6,9,11H2,1-3H3,(H2,18,20).
What are the key properties of 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide?
3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-1-(ethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79635080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).