(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

C17H18N2O2 — CID 6215469

IUPAC(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCc1ccccn1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-13-11-15-7-4-5-12-18-15/h2-10,12H,11,13H2,1H3,(H,19,20)/b10-9+
InChIKeyRWWIGIQOPXSXJR-MDZDMXLPSA-N
MW282.34 g/mol
LogP2.46
Rot. Bonds6

About (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 6215469) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
PubChem CID6215469
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCc1ccccn1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-13-11-15-7-4-5-12-18-15/h2-10,12H,11,13H2,1H3,(H,19,20)/b10-9+
InChIKeyRWWIGIQOPXSXJR-MDZDMXLPSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (CID 6215469) is (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCCc1ccccn1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is RWWIGIQOPXSXJR-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)9-10-17(20)19-13-11-15-7-4-5-12-18-15/h2-10,12H,11,13H2,1H3,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 6215469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).