4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

C17H22N2O2 — CID 112528864

IUPAC4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C17H22N2O2/c20-14-7-5-12(6-8-14)17(21)18-10-9-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,19-20H,5-10H2,(H,18,21)
InChIKeyLGSGEVFRIYRIOF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.38
Rot. Bonds4

About 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 112528864) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID112528864
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCC(O)CC1
InChIInChI=1S/C17H22N2O2/c20-14-7-5-12(6-8-14)17(21)18-10-9-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,19-20H,5-10H2,(H,18,21)
InChIKeyLGSGEVFRIYRIOF-UHFFFAOYSA-N
XLogP2.38
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 112528864) is 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LGSGEVFRIYRIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-14-7-5-12(6-8-14)17(21)18-10-9-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,19-20H,5-10H2,(H,18,21).
What are the key properties of 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 112528864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).