(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C20H21NO2 — CID 26913059

IUPAC(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-2-16-23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h2-13H,1,14-16H2,(H,21,22)/b13-10+
InChIKeyRSUWSKJZYBXLKZ-JLHYYAGUSA-N
MW307.39 g/mol
LogP3.62
Rot. Bonds8

About (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 26913059) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID26913059
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-2-16-23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h2-13H,1,14-16H2,(H,21,22)/b13-10+
InChIKeyRSUWSKJZYBXLKZ-JLHYYAGUSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
CID 75050400
(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 930103
3-[[(E)-3-[4-(4-phenylbutoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 10109549
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9301543
(E)-3-[4-[2-oxo-2-[4-[(E)-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]acetyl]phenyl]prop-2-enoic acid
CID 10434059
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9480872
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 18208260

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 26913059) is (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is RSUWSKJZYBXLKZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-16-23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h2-13H,1,14-16H2,(H,21,22)/b13-10+.
What are the key properties of (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26913059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).