(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide

C21H25NO3 — CID 9103990

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCc2ccccc2C)cc1OCC
InChIInChI=1S/C21H25NO3/c1-4-24-19-12-10-17(14-20(19)25-5-2)11-13-21(23)22-15-18-9-7-6-8-16(18)3/h6-14H,4-5,15H2,1-3H3,(H,22,23)/b13-11+
InChIKeyQAALZCLILFPKJD-ACCUITESSA-N
MW339.44 g/mol
LogP4.12
Rot. Bonds8

About (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide (PubChem CID 9103990) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
PubChem CID9103990
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCc2ccccc2C)cc1OCC
InChIInChI=1S/C21H25NO3/c1-4-24-19-12-10-17(14-20(19)25-5-2)11-13-21(23)22-15-18-9-7-6-8-16(18)3/h6-14H,4-5,15H2,1-3H3,(H,22,23)/b13-11+
InChIKeyQAALZCLILFPKJD-ACCUITESSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.12
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)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 16625934
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 78769846
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
(E)-N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 19176977
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 9314599
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
CID 19176956

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide (CID 9103990) is (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCc2ccccc2C)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide?
The InChIKey is QAALZCLILFPKJD-ACCUITESSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-24-19-12-10-17(14-20(19)25-5-2)11-13-21(23)22-15-18-9-7-6-8-16(18)3/h6-14H,4-5,15H2,1-3H3,(H,22,23)/b13-11+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 9103990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).