(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

C19H20N2O4 — CID 26688768

IUPAC(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1
InChIInChI=1S/C19H20N2O4/c1-13(22)20-15-5-4-6-16(11-15)21-19(23)8-7-14-9-17(24-2)12-18(10-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyIQOWSTZKKZLBAW-BQYQJAHWSA-N
MW340.38 g/mol
LogP3.31
Rot. Bonds6

About (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 26688768) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID26688768
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1
InChIInChI=1S/C19H20N2O4/c1-13(22)20-15-5-4-6-16(11-15)21-19(23)8-7-14-9-17(24-2)12-18(10-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyIQOWSTZKKZLBAW-BQYQJAHWSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 26688768) is (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is IQOWSTZKKZLBAW-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(22)20-15-5-4-6-16(11-15)21-19(23)8-7-14-9-17(24-2)12-18(10-14)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)/b8-7+.
What are the key properties of (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26688768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).