(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide

C17H14N2O — CID 6379633

IUPAC(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide
SMILESN#C/C(=C/c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11-
InChIKeyGUURNUUYOORXRM-WJDWOHSUSA-N
MW262.31 g/mol
LogP2.91
Rot. Bonds4

About (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide

(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide (PubChem CID 6379633) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide
PubChem CID6379633
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide
SMILESN#C/C(=C/c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11-
InChIKeyGUURNUUYOORXRM-WJDWOHSUSA-N
XLogP2.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide (CID 6379633) is (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide is N#C/C(=C/c1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide?
The InChIKey is GUURNUUYOORXRM-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide?
(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide is sourced from PubChem (CID 6379633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).