(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide

C21H25NO4 — CID 1185998

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-26-18-9-5-16(6-10-18)8-12-21(23)22-14-13-17-7-11-19(24-2)20(15-17)25-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-8+
InChIKeyXFCASTCENMJUIH-XYOKQWHBSA-N
MW355.43 g/mol
LogP3.47
Rot. Bonds9

About (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 1185998) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID1185998
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-26-18-9-5-16(6-10-18)8-12-21(23)22-14-13-17-7-11-19(24-2)20(15-17)25-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-8+
InChIKeyXFCASTCENMJUIH-XYOKQWHBSA-N
XLogP3.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.47
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide (CID 1185998) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is XFCASTCENMJUIH-XYOKQWHBSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-26-18-9-5-16(6-10-18)8-12-21(23)22-14-13-17-7-11-19(24-2)20(15-17)25-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-8+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1185998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).