(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide

C21H23NO5 — CID 90654713

IUPAC(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-5-12-27-17-9-7-6-8-15(17)10-11-20(23)22-16-13-18(24-2)21(26-4)19(14-16)25-3/h5-11,13-14H,1,12H2,2-4H3,(H,22,23)/b11-10+
InChIKeyNCUHBAKKGQGTOS-ZHACJKMWSA-N
MW369.42 g/mol
LogP3.93
Rot. Bonds9

About (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 90654713) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID90654713
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO5/c1-5-12-27-17-9-7-6-8-15(17)10-11-20(23)22-16-13-18(24-2)21(26-4)19(14-16)25-3/h5-11,13-14H,1,12H2,2-4H3,(H,22,23)/b11-10+
InChIKeyNCUHBAKKGQGTOS-ZHACJKMWSA-N
XLogP3.93
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 90654713) is (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is C=CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is NCUHBAKKGQGTOS-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H23NO5/c1-5-12-27-17-9-7-6-8-15(17)10-11-20(23)22-16-13-18(24-2)21(26-4)19(14-16)25-3/h5-11,13-14H,1,12H2,2-4H3,(H,22,23)/b11-10+.
What are the key properties of (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-prop-2-enoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 90654713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).