(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C19H22N2O3 — CID 30878649

IUPAC(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCc2ccccn2)cc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-23-17-10-8-15(13-18(17)24-4-2)9-11-19(22)21-14-16-7-5-6-12-20-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)/b11-9+
InChIKeyJFGFKEXHSRRCIQ-PKNBQFBNSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds8

About (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 30878649) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID30878649
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCc2ccccn2)cc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-23-17-10-8-15(13-18(17)24-4-2)9-11-19(22)21-14-16-7-5-6-12-20-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)/b11-9+
InChIKeyJFGFKEXHSRRCIQ-PKNBQFBNSA-N
XLogP3.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
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)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990
3-(3,4-diethoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55932798
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 78769846
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 30878649) is (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCc2ccccn2)cc1OCC.
What is the InChIKey of (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is JFGFKEXHSRRCIQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-23-17-10-8-15(13-18(17)24-4-2)9-11-19(22)21-14-16-7-5-6-12-20-16/h5-13H,3-4,14H2,1-2H3,(H,21,22)/b11-9+.
What are the key properties of (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 30878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).