(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide

C25H23N3O — CID 108840297

IUPAC(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide
SMILESN#C/C(=C/NCCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c26-18-23(19-27-17-16-20-10-4-1-5-11-20)25(29)28-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,24,27H,16-17H2,(H,28,29)/b23-19-
InChIKeyPYNBWACJPILNRZ-NMWGTECJSA-N
MW381.48 g/mol
LogP4.13
Rot. Bonds8

About (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide

(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide (PubChem CID 108840297) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide
PubChem CID108840297
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide
SMILESN#C/C(=C/NCCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c26-18-23(19-27-17-16-20-10-4-1-5-11-20)25(29)28-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,24,27H,16-17H2,(H,28,29)/b23-19-
InChIKeyPYNBWACJPILNRZ-NMWGTECJSA-N
XLogP4.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.13
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)-N-benzhydryl-2-cyano-3-[2-(2-methylphenyl)ethylamino]prop-2-enamide
CID 108840582
(Z)-2-cyano-N-(1-phenylethyl)-3-(3-phenylpropylamino)prop-2-enamide
CID 108840229
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840220
(Z)-N-benzhydryl-3-[(4-bromophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108840581
3-[[(Z)-2-cyano-3-(2-phenylethylamino)prop-2-enoyl]amino]propanoic acid
CID 108817592
(Z)-3-[2-(3-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840217
(Z)-N-benzhydryl-3-[(2-bromophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108840575
(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenylethylamino)prop-2-enamide
CID 108846956
(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-(4-methylphenyl)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829807
(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108840489

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide?
The IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide (CID 108840297) is (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide is N#C/C(=C/NCCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide?
The InChIKey is PYNBWACJPILNRZ-NMWGTECJSA-N. The full InChI is InChI=1S/C25H23N3O/c26-18-23(19-27-17-16-20-10-4-1-5-11-20)25(29)28-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,24,27H,16-17H2,(H,28,29)/b23-19-.
What are the key properties of (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide?
(Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzhydryl-2-cyano-3-(2-phenylethylamino)prop-2-enamide is sourced from PubChem (CID 108840297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).