(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide

C21H25NO3 — CID 8781311

IUPAC(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO3/c1-3-24-19-12-10-18(16-20(19)25-4-2)14-15-22-21(23)13-11-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,22,23)/b13-11+
InChIKeyXTIHUWHPFOQTOH-ACCUITESSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds9

About (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 8781311) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID8781311
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO3/c1-3-24-19-12-10-18(16-20(19)25-4-2)14-15-22-21(23)13-11-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,22,23)/b13-11+
InChIKeyXTIHUWHPFOQTOH-ACCUITESSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 76858235
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
CID 98669636
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
(Z)-2-cyano-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 2382177
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide (CID 8781311) is (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide is CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1OCC.
What is the InChIKey of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is XTIHUWHPFOQTOH-ACCUITESSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-24-19-12-10-18(16-20(19)25-4-2)14-15-22-21(23)13-11-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,22,23)/b13-11+.
What are the key properties of (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 8781311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).