N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C23H27NO2 — CID 2930228

IUPACN-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)NC2CCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H27NO2/c1-26-21-15-13-18(14-16-21)17-22(19-9-5-4-6-10-19)23(25)24-20-11-7-2-3-8-12-20/h4-6,9-10,13-17,20H,2-3,7-8,11-12H2,1H3,(H,24,25)
InChIKeyCHOPNNJVIQRDCF-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.07
Rot. Bonds5

About N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 2930228) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID2930228
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)NC2CCCCCC2)c2ccccc2)cc1
InChIInChI=1S/C23H27NO2/c1-26-21-15-13-18(14-16-21)17-22(19-9-5-4-6-10-19)23(25)24-20-11-7-2-3-8-12-20/h4-6,9-10,13-17,20H,2-3,7-8,11-12H2,1H3,(H,24,25)
InChIKeyCHOPNNJVIQRDCF-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate
CID 67440285
(E)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 11900104
N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 87568008
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 25266613
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 108757184
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
(2Z)-4-(cyclohexylamino)-2-[(4-methoxyphenyl)methylidene]-4-oxobutanoic acid
CID 6522836
N'-cyclohexyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130275872

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 2930228) is N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(C=C(C(=O)NC2CCCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is CHOPNNJVIQRDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-26-21-15-13-18(14-16-21)17-22(19-9-5-4-6-10-19)23(25)24-20-11-7-2-3-8-12-20/h4-6,9-10,13-17,20H,2-3,7-8,11-12H2,1H3,(H,24,25).
What are the key properties of N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 349.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2930228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).