(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide

C22H19N3O — CID 108835248

IUPAC(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H19N3O/c23-15-20(22(26)24-13-12-17-6-2-1-3-7-17)16-25-21-11-10-18-8-4-5-9-19(18)14-21/h1-11,14,16,25H,12-13H2,(H,24,26)/b20-16-
InChIKeyKGELLOXQGXJBQS-SILNSSARSA-N
MW341.41 g/mol
LogP4.02
Rot. Bonds6

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

(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 108835248) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide
PubChem CID108835248
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C22H19N3O/c23-15-20(22(26)24-13-12-17-6-2-1-3-7-17)16-25-21-11-10-18-8-4-5-9-19(18)14-21/h1-11,14,16,25H,12-13H2,(H,24,26)/b20-16-
InChIKeyKGELLOXQGXJBQS-SILNSSARSA-N
XLogP4.02
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.02
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

6-[[(Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845258
(E)-2-cyano-3-(3,5-dimethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 7459702
(Z)-3-anilino-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829246
(Z)-2-cyano-3-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108838787
(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835242
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835102
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835304
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 108835137
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108818132
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835109
(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108839027

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide (CID 108835248) is (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C/Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is KGELLOXQGXJBQS-SILNSSARSA-N. The full InChI is InChI=1S/C22H19N3O/c23-15-20(22(26)24-13-12-17-6-2-1-3-7-17)16-25-21-11-10-18-8-4-5-9-19(18)14-21/h1-11,14,16,25H,12-13H2,(H,24,26)/b20-16-.
What are the key properties of (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(naphthalen-2-ylamino)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108835248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).