(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide

C21H23N3O — CID 108840229

IUPAC(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-17(19-12-6-3-7-13-19)24-21(25)20(15-22)16-23-14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,16-17,23H,8,11,14H2,1H3,(H,24,25)/b20-16-
InChIKeyKSLXEJHUASCTPO-SILNSSARSA-N
MW333.44 g/mol
LogP3.49
Rot. Bonds8

About (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide

(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide (PubChem CID 108840229) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide
PubChem CID108840229
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-17(19-12-6-3-7-13-19)24-21(25)20(15-22)16-23-14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,16-17,23H,8,11,14H2,1H3,(H,24,25)/b20-16-
InChIKeyKSLXEJHUASCTPO-SILNSSARSA-N
XLogP3.49
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylpropylamino)prop-2-enamide
CID 108847261
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840220
(Z)-3-(2-chloroethylamino)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108839976
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055
(Z)-3-[2-(3-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840217
methyl 3-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]propanoate
CID 108840193
(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide
CID 108840297
(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenylethylamino)prop-2-enamide
CID 108846956
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108839999
ethyl 2-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]acetate
CID 108840195
4-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]-3-oxoprop-1-enyl]amino]butanoic acid
CID 108847358
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-phenylpropylamino)prop-2-enamide
CID 108822372

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide (CID 108840229) is (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide is CC(NC(=O)/C(C#N)=C\NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide?
The InChIKey is KSLXEJHUASCTPO-SILNSSARSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17(19-12-6-3-7-13-19)24-21(25)20(15-22)16-23-14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,16-17,23H,8,11,14H2,1H3,(H,24,25)/b20-16-.
What are the key properties of (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide?
(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide is sourced from PubChem (CID 108840229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).