(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide

C18H20N2O3 — CID 34908473

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccncc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-22-16-5-3-15(13-17(16)23-2)9-12-20-18(21)6-4-14-7-10-19-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,20,21)/b6-4+
InChIKeyLPQOPYMRBZSSAR-GQCTYLIASA-N
MW312.37 g/mol
LogP2.47
Rot. Bonds7

About (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 34908473) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID34908473
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(CCNC(=O)/C=C/c2ccncc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-22-16-5-3-15(13-17(16)23-2)9-12-20-18(21)6-4-14-7-10-19-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,20,21)/b6-4+
InChIKeyLPQOPYMRBZSSAR-GQCTYLIASA-N
XLogP2.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.47
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

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5141905
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6282757
(Z)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 23276568
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 123868458
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
(E)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058334
(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 166232262
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide (CID 34908473) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide is COc1ccc(CCNC(=O)/C=C/c2ccncc2)cc1OC.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is LPQOPYMRBZSSAR-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-5-3-15(13-17(16)23-2)9-12-20-18(21)6-4-14-7-10-19-11-8-14/h3-8,10-11,13H,9,12H2,1-2H3,(H,20,21)/b6-4+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.47, 7 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-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 34908473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).