(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide

C24H20N2O2 — CID 44576145

IUPAC(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cc(Cc2ccccc2)c(O)c(Cc2ccccc2)c1)C(N)=O
InChIInChI=1S/C24H20N2O2/c25-16-22(24(26)28)15-19-13-20(11-17-7-3-1-4-8-17)23(27)21(14-19)12-18-9-5-2-6-10-18/h1-10,13-15,27H,11-12H2,(H2,26,28)/b22-15-
InChIKeyUHGZPHGGTGUXMI-JCMHNJIXSA-N
MW368.44 g/mol
LogP3.97
Rot. Bonds6

About (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide (PubChem CID 44576145) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide
PubChem CID44576145
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cc(Cc2ccccc2)c(O)c(Cc2ccccc2)c1)C(N)=O
InChIInChI=1S/C24H20N2O2/c25-16-22(24(26)28)15-19-13-20(11-17-7-3-1-4-8-17)23(27)21(14-19)12-18-9-5-2-6-10-18/h1-10,13-15,27H,11-12H2,(H2,26,28)/b22-15-
InChIKeyUHGZPHGGTGUXMI-JCMHNJIXSA-N
XLogP3.97
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide (CID 44576145) is (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide is N#C/C(=C/c1cc(Cc2ccccc2)c(O)c(Cc2ccccc2)c1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is UHGZPHGGTGUXMI-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H20N2O2/c25-16-22(24(26)28)15-19-13-20(11-17-7-3-1-4-8-17)23(27)21(14-19)12-18-9-5-2-6-10-18/h1-10,13-15,27H,11-12H2,(H2,26,28)/b22-15-.
What are the key properties of (Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 3.97, 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-(3,5-dibenzyl-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 44576145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).