(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide

C20H23NO2 — CID 930103

IUPAC(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-16(2)23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-10+
InChIKeyQJSGBBGWFWOFFI-JLHYYAGUSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds7

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

(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 930103) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID930103
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-16(2)23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-10+
InChIKeyQJSGBBGWFWOFFI-JLHYYAGUSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
CID 33162225
(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
(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)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
CID 75050400
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
3-[[(E)-3-[4-(4-phenylbutoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 10109549
(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 930103) is (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is QJSGBBGWFWOFFI-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(2)23-19-11-8-18(9-12-19)10-13-20(22)21-15-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-10+.
What are the key properties of (E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 3.85, 7 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-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 930103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).