(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide

C20H20N2O — CID 10518620

IUPAC(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H20N2O/c21-16-19(15-18-12-5-2-6-13-18)20(23)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,22,23)/b19-15+
InChIKeyCNVWBNPXNPRZIU-XDJHFCHBSA-N
MW304.39 g/mol
LogP3.73
Rot. Bonds7

About (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide

(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide (PubChem CID 10518620) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide
PubChem CID10518620
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H20N2O/c21-16-19(15-18-12-5-2-6-13-18)20(23)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,22,23)/b19-15+
InChIKeyCNVWBNPXNPRZIU-XDJHFCHBSA-N
XLogP3.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide (CID 10518620) is (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)NCCCCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide?
The InChIKey is CNVWBNPXNPRZIU-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H20N2O/c21-16-19(15-18-12-5-2-6-13-18)20(23)22-14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,22,23)/b19-15+.
What are the key properties of (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide?
(E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenyl-N-(4-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 10518620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).