(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide

C16H16N2O2 — CID 39585351

IUPAC(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(7-6-14-8-10-17-11-9-14)18-12-13-20-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,18,19)/b7-6+
InChIKeyQOHFQLHEJWAUEX-VOTSOKGWSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds6

About (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 39585351) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID39585351
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCOc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16(7-6-14-8-10-17-11-9-14)18-12-13-20-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,18,19)/b7-6+
InChIKeyQOHFQLHEJWAUEX-VOTSOKGWSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-methoxyphenoxy)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 39620882
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 87641139
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-[2-(3-fluoro-4-phenoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 166232262
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
(E)-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 26676963
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 85390507

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide (CID 39585351) is (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCCOc1ccccc1.
What is the InChIKey of (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is QOHFQLHEJWAUEX-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(7-6-14-8-10-17-11-9-14)18-12-13-20-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,18,19)/b7-6+.
What are the key properties of (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39585351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).