(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

C19H19NO4 — CID 2404472

IUPAC(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)c1OC
InChIInChI=1S/C19H19NO4/c1-13(21)15-7-4-8-16(12-15)20-18(22)11-10-14-6-5-9-17(23-2)19(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-10+
InChIKeyCJLHFBKWIUHEQB-ZHACJKMWSA-N
MW325.36 g/mol
LogP3.56
Rot. Bonds6

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

(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (PubChem CID 2404472) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
PubChem CID2404472
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)c1OC
InChIInChI=1S/C19H19NO4/c1-13(21)15-7-4-8-16(12-15)20-18(22)11-10-14-6-5-9-17(23-2)19(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-10+
InChIKeyCJLHFBKWIUHEQB-ZHACJKMWSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (CID 2404472) is (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)c1OC.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The InChIKey is CJLHFBKWIUHEQB-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(21)15-7-4-8-16(12-15)20-18(22)11-10-14-6-5-9-17(23-2)19(14)24-3/h4-12H,1-3H3,(H,20,22)/b11-10+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).