(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide

C20H21N3O — CID 108835165

IUPAC(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-2-23(19-11-7-4-8-12-19)16-18(15-21)20(24)22-14-13-17-9-5-3-6-10-17/h3-12,16H,2,13-14H2,1H3,(H,22,24)/b18-16-
InChIKeyXPSFCCJCWZZTPJ-VLGSPTGOSA-N
MW319.41 g/mol
LogP3.28
Rot. Bonds7

About (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 108835165) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
PubChem CID108835165
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-2-23(19-11-7-4-8-12-19)16-18(15-21)20(24)22-14-13-17-9-5-3-6-10-17/h3-12,16H,2,13-14H2,1H3,(H,22,24)/b18-16-
InChIKeyXPSFCCJCWZZTPJ-VLGSPTGOSA-N
XLogP3.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-butyl-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108833684
(Z)-3-(N-benzylanilino)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838971
(Z)-3-(N-benzylanilino)-N-(3-butoxypropyl)-2-cyanoprop-2-enamide
CID 108837106
(Z)-3-(N-benzylanilino)-N-(3-chloropropyl)-2-cyanoprop-2-enamide
CID 108854199
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(N-ethyl-3-methylanilino)prop-2-enamide
CID 108836439
(Z)-N-(2-chlorophenyl)-2-cyano-3-(N-ethylanilino)prop-2-enamide
CID 108824386
(Z)-N-butyl-2-cyano-3-(N-ethyl-3-methylanilino)prop-2-enamide
CID 108833842
(Z)-2-cyano-3-(pentylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835187
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-(2-phenylethyl)prop-2-enamide
CID 7711309
(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126247855
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 108835137

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide (CID 108835165) is (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide is CCN(/C=C(/C#N)C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is XPSFCCJCWZZTPJ-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-23(19-11-7-4-8-12-19)16-18(15-21)20(24)22-14-13-17-9-5-3-6-10-17/h3-12,16H,2,13-14H2,1H3,(H,22,24)/b18-16-.
What are the key properties of (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 319.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108835165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).