(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C21H23NO4 — CID 9102469

IUPAC(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO4/c1-4-14-26-18-10-6-16(7-11-18)8-13-21(23)22-17-9-12-19(25-5-2)20(15-17)24-3/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,23)/b13-8+
InChIKeyIUZDFRKILIVFCM-MDWZMJQESA-N
MW353.42 g/mol
LogP4.31
Rot. Bonds9

About (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 9102469) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID9102469
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C21H23NO4/c1-4-14-26-18-10-6-16(7-11-18)8-13-21(23)22-17-9-12-19(25-5-2)20(15-17)24-3/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,23)/b13-8+
InChIKeyIUZDFRKILIVFCM-MDWZMJQESA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 7731956
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 9102469) is (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2ccc(OCC)c(OC)c2)cc1.
What is the InChIKey of (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is IUZDFRKILIVFCM-MDWZMJQESA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-14-26-18-10-6-16(7-11-18)8-13-21(23)22-17-9-12-19(25-5-2)20(15-17)24-3/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,23)/b13-8+.
What are the key properties of (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9102469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).