(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C25H23NO3 — CID 108757184

IUPAC(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-28-20-13-11-18(12-14-20)17-22(19-7-3-2-4-8-19)25(27)26-23-15-16-29-24-10-6-5-9-21(23)24/h2-14,17,23H,15-16H2,1H3,(H,26,27)/b22-17+
InChIKeyKXPONEFMFPLHDV-OQKWZONESA-N
MW385.46 g/mol
LogP4.88
Rot. Bonds5

About (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 108757184) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID108757184
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-28-20-13-11-18(12-14-20)17-22(19-7-3-2-4-8-19)25(27)26-23-15-16-29-24-10-6-5-9-21(23)24/h2-14,17,23H,15-16H2,1H3,(H,26,27)/b22-17+
InChIKeyKXPONEFMFPLHDV-OQKWZONESA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
CID 108757186
N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2930228
(E)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 11900104
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
CID 94018955
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-N-methylbenzamide
CID 110751162

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 108757184) is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is KXPONEFMFPLHDV-OQKWZONESA-N. The full InChI is InChI=1S/C25H23NO3/c1-28-20-13-11-18(12-14-20)17-22(19-7-3-2-4-8-19)25(27)26-23-15-16-29-24-10-6-5-9-21(23)24/h2-14,17,23H,15-16H2,1H3,(H,26,27)/b22-17+.
What are the key properties of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 385.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 108757184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).