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

C23H22N2O2 — CID 39299939

IUPAC(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OCc2ccccc2)c1)NCCc1ccccn1
InChIInChI=1S/C23H22N2O2/c26-23(25-16-14-21-10-4-5-15-24-21)13-12-19-9-6-11-22(17-19)27-18-20-7-2-1-3-8-20/h1-13,15,17H,14,16,18H2,(H,25,26)/b13-12+
InChIKeyZEPZRWNHFNETCI-OUKQBFOZSA-N
MW358.44 g/mol
LogP4.03
Rot. Bonds8

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

(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 39299939) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
PubChem CID39299939
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(OCc2ccccc2)c1)NCCc1ccccn1
InChIInChI=1S/C23H22N2O2/c26-23(25-16-14-21-10-4-5-15-24-21)13-12-19-9-6-11-22(17-19)27-18-20-7-2-1-3-8-20/h1-13,15,17H,14,16,18H2,(H,25,26)/b13-12+
InChIKeyZEPZRWNHFNETCI-OUKQBFOZSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-bromophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 46467219
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 30878871
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 72688755
3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 74607566
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-N-[2-(4-fluorophenyl)ethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26022578
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55676181
(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 35053594
2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 4784838
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (CID 39299939) is (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is O=C(/C=C/c1cccc(OCc2ccccc2)c1)NCCc1ccccn1.
What is the InChIKey of (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is ZEPZRWNHFNETCI-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-23(25-16-14-21-10-4-5-15-24-21)13-12-19-9-6-11-22(17-19)27-18-20-7-2-1-3-8-20/h1-13,15,17H,14,16,18H2,(H,25,26)/b13-12+.
What are the key properties of (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 39299939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).