N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide

C24H28N3O+ — CID 6490029

IUPACN-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide
SMILESC[n+]1ccccc1/C=C/c1cn(CC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C24H27N3O/c1-26-16-8-7-11-21(26)15-14-19-17-27(23-13-6-5-12-22(19)23)18-24(28)25-20-9-3-2-4-10-20/h5-8,11-17,20H,2-4,9-10,18H2,1H3/p+1
InChIKeyLNQGBAYLBWNSDM-UHFFFAOYSA-O
MW374.51 g/mol
LogP4.09
Rot. Bonds5

About N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide

N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide (PubChem CID 6490029) has the molecular formula C24H28N3O+ and a molecular weight of 374.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide
PubChem CID6490029
Molecular FormulaC24H28N3O+
Molecular Weight374.51 g/mol
Exact Mass374.22
IUPAC NameN-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide
SMILESC[n+]1ccccc1/C=C/c1cn(CC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C24H27N3O/c1-26-16-8-7-11-21(26)15-14-19-17-27(23-13-6-5-12-22(19)23)18-24(28)25-20-9-3-2-4-10-20/h5-8,11-17,20H,2-4,9-10,18H2,1H3/p+1
InChIKeyLNQGBAYLBWNSDM-UHFFFAOYSA-O
XLogP4.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
(E)-2-cyano-N-cyclohexyl-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide
CID 5292421
2-cyano-N-cyclohexyl-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]prop-2-enamide
CID 3144609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide (CID 6490029) is N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide is C[n+]1ccccc1/C=C/c1cn(CC(=O)NC2CCCCC2)c2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide?
The InChIKey is LNQGBAYLBWNSDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N3O/c1-26-16-8-7-11-21(26)15-14-19-17-27(23-13-6-5-12-22(19)23)18-24(28)25-20-9-3-2-4-10-20/h5-8,11-17,20H,2-4,9-10,18H2,1H3/p+1.
What are the key properties of N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide?
N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide is sourced from PubChem (CID 6490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).