(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide

C19H20N2O2 — CID 20701388

IUPAC(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESC=CCOc1cccc(CCNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-13-23-18-7-3-5-16(14-18)10-12-21-19(22)9-8-17-6-4-11-20-15-17/h2-9,11,14-15H,1,10,12-13H2,(H,21,22)/b9-8+
InChIKeyKHTNQXPQZIXNLC-CMDGGOBGSA-N
MW308.38 g/mol
LogP3.02
Rot. Bonds8

About (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701388) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID20701388
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESC=CCOc1cccc(CCNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C19H20N2O2/c1-2-13-23-18-7-3-5-16(14-18)10-12-21-19(22)9-8-17-6-4-11-20-15-17/h2-9,11,14-15H,1,10,12-13H2,(H,21,22)/b9-8+
InChIKeyKHTNQXPQZIXNLC-CMDGGOBGSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701411
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 5340243
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39299939
(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
CID 155524021
(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701386

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide (CID 20701388) is (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide is C=CCOc1cccc(CCNC(=O)/C=C/c2cccnc2)c1.
What is the InChIKey of (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is KHTNQXPQZIXNLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-13-23-18-7-3-5-16(14-18)10-12-21-19(22)9-8-17-6-4-11-20-15-17/h2-9,11,14-15H,1,10,12-13H2,(H,21,22)/b9-8+.
What are the key properties of (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 308.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).