(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide

C19H19N3O — CID 108817232

IUPAC(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-18(11-9-14)22-19(23)17(12-20)13-21-15(2)16-6-4-3-5-7-16/h3-11,13,15,21H,1-2H3,(H,22,23)/b17-13-
InChIKeyAOYDSCPDAORJAM-LGMDPLHJSA-N
MW305.38 g/mol
LogP3.69
Rot. Bonds5

About (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide

(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide (PubChem CID 108817232) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
PubChem CID108817232
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NC(C)c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-18(11-9-14)22-19(23)17(12-20)13-21-15(2)16-6-4-3-5-7-16/h3-11,13,15,21H,1-2H3,(H,22,23)/b17-13-
InChIKeyAOYDSCPDAORJAM-LGMDPLHJSA-N
XLogP3.69
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
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

4-[[(Z)-2-cyano-3-(1-phenylethylamino)prop-2-enoyl]amino]benzenesulfonic acid
CID 108819097
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108820961
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108827319
(Z)-2-cyano-N-(2-nitrophenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108816487
(Z)-N-(2-chloroethyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108854419
(Z)-2-cyano-3-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849599
(Z)-N-butyl-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108833615
(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
CID 108817434
(Z)-3-(benzhydrylamino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108852928
(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817239
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821357

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide (CID 108817232) is (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NC(C)c2ccccc2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The InChIKey is AOYDSCPDAORJAM-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-8-10-18(11-9-14)22-19(23)17(12-20)13-21-15(2)16-6-4-3-5-7-16/h3-11,13,15,21H,1-2H3,(H,22,23)/b17-13-.
What are the key properties of (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide?
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide is sourced from PubChem (CID 108817232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).