(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide

C17H16N2O3 — CID 173273768

IUPAC(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide
SMILESO=CCN(OCc1ccccn1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13-12-19(22-14-16-8-4-5-11-18-16)17(21)10-9-15-6-2-1-3-7-15/h1-11,13H,12,14H2/b10-9+
InChIKeyDRUBHMHEIDANAJ-MDZDMXLPSA-N
MW296.33 g/mol
LogP2.25
Rot. Bonds7

About (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide

(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide (PubChem CID 173273768) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide
PubChem CID173273768
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide
SMILESO=CCN(OCc1ccccn1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13-12-19(22-14-16-8-4-5-11-18-16)17(21)10-9-15-6-2-1-3-7-15/h1-11,13H,12,14H2/b10-9+
InChIKeyDRUBHMHEIDANAJ-MDZDMXLPSA-N
XLogP2.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide with MolForge

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Related Compounds

pyridin-2-ylmethyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 43009269
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55985412
(E)-N-cyano-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273963
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 18582183
N-nitro-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54396377
(E)-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 56534468
3-[4-[acetyl(pyridin-2-ylmethyl)amino]phenyl]prop-2-enoic acid
CID 54372725
N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
CID 22112962

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide?
The IUPAC name of (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide (CID 173273768) is (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide?
The canonical SMILES for (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide is O=CCN(OCc1ccccn1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide?
The InChIKey is DRUBHMHEIDANAJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-13-12-19(22-14-16-8-4-5-11-18-16)17(21)10-9-15-6-2-1-3-7-15/h1-11,13H,12,14H2/b10-9+.
What are the key properties of (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide?
(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide is sourced from PubChem (CID 173273768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).