N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide

C20H24N2O — CID 170318336

IUPACN-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)c(C=CC1CCCCC1)cn2C
InChIInChI=1S/C20H24N2O/c1-3-20(23)21-17-11-12-19-18(13-17)16(14-22(19)2)10-9-15-7-5-4-6-8-15/h3,9-15H,1,4-8H2,2H3,(H,21,23)
InChIKeyIUGFIAGRPSZGPM-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.90
Rot. Bonds4

About N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide

N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide (PubChem CID 170318336) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
PubChem CID170318336
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)c(C=CC1CCCCC1)cn2C
InChIInChI=1S/C20H24N2O/c1-3-20(23)21-17-11-12-19-18(13-17)16(14-22(19)2)10-9-15-7-5-4-6-8-15/h3,9-15H,1,4-8H2,2H3,(H,21,23)
InChIKeyIUGFIAGRPSZGPM-UHFFFAOYSA-N
XLogP4.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(4,4-difluorocyclohexyl)ethenyl]-1-methylindol-6-yl]prop-2-enamide
CID 170318329
N-[3-[2-(4,4-difluorocyclohexyl)ethenyl]-1-ethylindol-5-yl]prop-2-enamide
CID 170318362
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 176938808
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
N-[1-acetyl-3-[(E)-2-(4-chlorophenyl)ethenyl]indol-5-yl]prop-2-enamide
CID 169260730
N-[1-acetyl-3-[2-(4-chlorophenyl)ethenyl]indol-5-yl]prop-2-enamide
CID 170318354
N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741272
N-[3-[2-(3-chlorophenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318346
N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741275
N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide
CID 171429720
N-[3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 170318313
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide (CID 170318336) is N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)c(C=CC1CCCCC1)cn2C.
What is the InChIKey of N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide?
The InChIKey is IUGFIAGRPSZGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-20(23)21-17-11-12-19-18(13-17)16(14-22(19)2)10-9-15-7-5-4-6-8-15/h3,9-15H,1,4-8H2,2H3,(H,21,23).
What are the key properties of N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide?
N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide has a molecular weight of 308.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide is sourced from PubChem (CID 170318336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).