4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide

C17H22N2O2 — CID 112526211

IUPAC4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1
InChIInChI=1S/C17H22N2O2/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h5,8-10,12,15,18H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyXLEKDEJDROXEOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.62
Rot. Bonds3

About 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide

4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide (PubChem CID 112526211) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
PubChem CID112526211
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1
InChIInChI=1S/C17H22N2O2/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h5,8-10,12,15,18H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyXLEKDEJDROXEOY-UHFFFAOYSA-N
XLogP3.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97185524
N-(2-methyl-1H-indol-5-yl)piperidine-3-carboxamide;hydrochloride
CID 126777358
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
CID 94658175
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
CID 120785796
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide (CID 112526211) is 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2ccc3[nH]c(C)cc3c2)CC1.
What is the InChIKey of 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is XLEKDEJDROXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-9-13-10-14(5-8-16(13)18-11)19-17(20)12-3-6-15(21-2)7-4-12/h5,8-10,12,15,18H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide?
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112526211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).