(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

C19H21NO3 — CID 912510

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)9-11-19(21)20-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+
InChIKeyOCBVXILUEJJGQP-PKNBQFBNSA-N
MW311.38 g/mol
LogP3.08
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 912510) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID912510
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)9-11-19(21)20-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+
InChIKeyOCBVXILUEJJGQP-PKNBQFBNSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide (CID 912510) is (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is OCBVXILUEJJGQP-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-10-8-16(14-18(17)23-2)9-11-19(21)20-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 912510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).