(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide

C22H16N2O2 — CID 14994201

IUPAC(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)C(N)=O
InChIInChI=1S/C22H16N2O2/c23-14-18(22(24)26)11-15-12-19(16-7-3-1-4-8-16)21(25)20(13-15)17-9-5-2-6-10-17/h1-13,25H,(H2,24,26)/b18-11+
InChIKeyPCFQUUNVRNAUQG-WOJGMQOQSA-N
MW340.38 g/mol
LogP4.12
Rot. Bonds4

About (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide

(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide (PubChem CID 14994201) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide
PubChem CID14994201
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)C(N)=O
InChIInChI=1S/C22H16N2O2/c23-14-18(22(24)26)11-15-12-19(16-7-3-1-4-8-16)21(25)20(13-15)17-9-5-2-6-10-17/h1-13,25H,(H2,24,26)/b18-11+
InChIKeyPCFQUUNVRNAUQG-WOJGMQOQSA-N
XLogP4.12
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.12
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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Related Compounds

SU 1498
CID 5941539
(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 5328802
(2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 5328796
2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)-2-propenamide
CID 5305
ST 271
CID 6439072
2-Cyano-3-(3,5-dibenzyl-4-hydroxyphenyl)acrylamide
CID 44576145
2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-
CID 273075
Alpha-cyano-2-hydroxy-1-naphthaleneacrylamide
CID 281786
(E)-2-cyano-3-(3,5-dibutyl-4-hydroxyphenyl)prop-2-enamide
CID 44315416
(E)-3-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enamide
CID 172448813
(Z)-3-(3-allyl-2-hydroxyphenyl)-2-cyanoacrylamide
CID 7157733
(2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide
CID 736630

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide (CID 14994201) is (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide is N#C/C(=C\c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide?
The InChIKey is PCFQUUNVRNAUQG-WOJGMQOQSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-14-18(22(24)26)11-15-12-19(16-7-3-1-4-8-16)21(25)20(13-15)17-9-5-2-6-10-17/h1-13,25H,(H2,24,26)/b18-11+.
What are the key properties of (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide?
(E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-hydroxy-3,5-diphenylphenyl)prop-2-enamide is sourced from PubChem (CID 14994201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).