(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

C25H26N2O5 — CID 6072315

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)NCCc2ccc(OC)c(OC)c2)n2ccccc2=O)cc1
InChIInChI=1S/C25H26N2O5/c1-30-20-10-7-18(8-11-20)16-21(27-15-5-4-6-24(27)28)25(29)26-14-13-19-9-12-22(31-2)23(17-19)32-3/h4-12,15-17H,13-14H2,1-3H3,(H,26,29)/b21-16+
InChIKeyLPPJBSYISUMRFE-LTGZKZEYSA-N
MW434.49 g/mol
LogP3.23
Rot. Bonds9

About (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (PubChem CID 6072315) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
PubChem CID6072315
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)NCCc2ccc(OC)c(OC)c2)n2ccccc2=O)cc1
InChIInChI=1S/C25H26N2O5/c1-30-20-10-7-18(8-11-20)16-21(27-15-5-4-6-24(27)28)25(29)26-14-13-19-9-12-22(31-2)23(17-19)32-3/h4-12,15-17H,13-14H2,1-3H3,(H,26,29)/b21-16+
InChIKeyLPPJBSYISUMRFE-LTGZKZEYSA-N
XLogP3.23
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide
CID 25246733
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (CID 6072315) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is COc1ccc(/C=C(\C(=O)NCCc2ccc(OC)c(OC)c2)n2ccccc2=O)cc1.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The InChIKey is LPPJBSYISUMRFE-LTGZKZEYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-20-10-7-18(8-11-20)16-21(27-15-5-4-6-24(27)28)25(29)26-14-13-19-9-12-22(31-2)23(17-19)32-3/h4-12,15-17H,13-14H2,1-3H3,(H,26,29)/b21-16+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide has a molecular weight of 434.49 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is sourced from PubChem (CID 6072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).