(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H24N2O4 — CID 1318862

IUPAC(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-28-20-15-19(16-21(29-2)24(20)30-3)12-13-23(27)26(22-11-7-8-14-25-22)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/b13-12+
InChIKeyMINOCCGNCNQMLV-OUKQBFOZSA-N
MW404.47 g/mol
LogP4.35
Rot. Bonds8

About (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 1318862) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID1318862
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-28-20-15-19(16-21(29-2)24(20)30-3)12-13-23(27)26(22-11-7-8-14-25-22)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/b13-12+
InChIKeyMINOCCGNCNQMLV-OUKQBFOZSA-N
XLogP4.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 1318862) is (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cc(OC)c1OC.
What is the InChIKey of (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is MINOCCGNCNQMLV-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-20-15-19(16-21(29-2)24(20)30-3)12-13-23(27)26(22-11-7-8-14-25-22)17-18-9-5-4-6-10-18/h4-16H,17H2,1-3H3/b13-12+.
What are the key properties of (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 404.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1318862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).