2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide

C17H22N2O — CID 67283773

IUPAC2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
SMILESCCC1CCCCC1(C(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-12-7-5-6-10-17(12,16(18)20)14-11-19-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,19H,2,5-7,10H2,1H3,(H2,18,20)
InChIKeyJQOXYXTUEUTIQB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds3

About 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide

2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide (PubChem CID 67283773) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
PubChem CID67283773
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
SMILESCCC1CCCCC1(C(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-2-12-7-5-6-10-17(12,16(18)20)14-11-19-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,19H,2,5-7,10H2,1H3,(H2,18,20)
InChIKeyJQOXYXTUEUTIQB-UHFFFAOYSA-N
XLogP3.49
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 91316564
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine
CID 57112098
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
tert-butyl 2-(1H-indol-3-yl)pyrrolidine-2-carboxylate
CID 57241004

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide (CID 67283773) is 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide is CCC1CCCCC1(C(N)=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is JQOXYXTUEUTIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-12-7-5-6-10-17(12,16(18)20)14-11-19-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,19H,2,5-7,10H2,1H3,(H2,18,20).
What are the key properties of 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide?
2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67283773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).