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

C26H25NO4 — CID 108757186

IUPAC(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-29-24-13-12-18(17-25(24)30-2)16-21(19-8-4-3-5-9-19)26(28)27-22-14-15-31-23-11-7-6-10-20(22)23/h3-13,16-17,22H,14-15H2,1-2H3,(H,27,28)/b21-16+
InChIKeyIDQWDWJYQVEOLE-LTGZKZEYSA-N
MW415.49 g/mol
LogP4.88
Rot. Bonds6

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

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 108757186) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
PubChem CID108757186
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-29-24-13-12-18(17-25(24)30-2)16-21(19-8-4-3-5-9-19)26(28)27-22-14-15-31-23-11-7-6-10-20(22)23/h3-13,16-17,22H,14-15H2,1-2H3,(H,27,28)/b21-16+
InChIKeyIDQWDWJYQVEOLE-LTGZKZEYSA-N
XLogP4.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 108757184
[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate
CID 67440285
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46813693
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417155
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 25417152
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-nitrobenzamide
CID 18115291
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 39958855
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 86826326

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide (CID 108757186) is (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)NC2CCOc3ccccc32)c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is IDQWDWJYQVEOLE-LTGZKZEYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-29-24-13-12-18(17-25(24)30-2)16-21(19-8-4-3-5-9-19)26(28)27-22-14-15-31-23-11-7-6-10-20(22)23/h3-13,16-17,22H,14-15H2,1-2H3,(H,27,28)/b21-16+.
What are the key properties of (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 415.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 108757186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).