2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid

C18H20N2O3 — CID 53270372

IUPAC2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)NCCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h3-5,8,11,20H,1-2,6-7,9-10H2,(H,19,21)(H,22,23)
InChIKeyFXECHCGUPBZXRX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid

2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid (PubChem CID 53270372) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
PubChem CID53270372
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)NCCc2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h3-5,8,11,20H,1-2,6-7,9-10H2,(H,19,21)(H,22,23)
InChIKeyFXECHCGUPBZXRX-UHFFFAOYSA-N
XLogP2.78
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27644488
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid (CID 53270372) is 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid is O=C(O)C1=C(C(=O)NCCc2c[nH]c3ccccc23)CCCC1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is FXECHCGUPBZXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h3-5,8,11,20H,1-2,6-7,9-10H2,(H,19,21)(H,22,23).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid?
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 53270372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).