(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide

C21H23N3O — CID 108821357

IUPAC(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
SMILESCCc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O/c1-4-17-9-11-18(12-10-17)16(3)23-14-19(13-22)21(25)24-20-8-6-5-7-15(20)2/h5-12,14,16,23H,4H2,1-3H3,(H,24,25)/b19-14-
InChIKeyBWJHMKJLOHMTLA-RGEXLXHISA-N
MW333.44 g/mol
LogP4.25
Rot. Bonds6

About (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide (PubChem CID 108821357) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
PubChem CID108821357
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
SMILESCCc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O/c1-4-17-9-11-18(12-10-17)16(3)23-14-19(13-22)21(25)24-20-8-6-5-7-15(20)2/h5-12,14,16,23H,4H2,1-3H3,(H,24,25)/b19-14-
InChIKeyBWJHMKJLOHMTLA-RGEXLXHISA-N
XLogP4.25
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.25
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

methyl 2-[[(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]prop-2-enoyl]amino]benzoate
CID 108851468
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methoxyphenyl)prop-2-enamide
CID 108820984
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
(Z)-2-cyano-3-[1-(2-ethoxy-5-methylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821355
(Z)-2-cyano-N-(2-methylphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-2-enamide
CID 108821356
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108820961
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108821400
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840704
(Z)-3-(2-tert-butylanilino)-2-cyano-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848637
(Z)-2-cyano-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methylphenyl)prop-2-enamide
CID 108821597
(Z)-2-cyano-N-(2-nitrophenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108816487
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108817232

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide (CID 108821357) is (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide is CCc1ccc(C(C)N/C=C(/C#N)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is BWJHMKJLOHMTLA-RGEXLXHISA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-17-9-11-18(12-10-17)16(3)23-14-19(13-22)21(25)24-20-8-6-5-7-15(20)2/h5-12,14,16,23H,4H2,1-3H3,(H,24,25)/b19-14-.
What are the key properties of (Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 4.25, 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-[1-(4-ethylphenyl)ethylamino]-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108821357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).