(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile

C27H28N2O2 — CID 24825444

IUPAC(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile
SMILESCN(C)CCOc1ccc(/C(=C(/CCC#N)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H28N2O2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,19-20H2,1-2H3/b27-26-
InChIKeyNJLBAPRPXSPJQO-RQZHXJHFSA-N
MW412.53 g/mol
LogP5.60
Rot. Bonds9

About (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile

(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile (PubChem CID 24825444) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile.

Molecular Properties

Compound Name(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile
PubChem CID24825444
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile
SMILESCN(C)CCOc1ccc(/C(=C(/CCC#N)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H28N2O2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,19-20H2,1-2H3/b27-26-
InChIKeyNJLBAPRPXSPJQO-RQZHXJHFSA-N
XLogP5.60
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile?
The IUPAC name of (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile (CID 24825444) is (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile.
What is the SMILES notation for (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile?
The canonical SMILES for (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile is CN(C)CCOc1ccc(/C(=C(/CCC#N)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile?
The InChIKey is NJLBAPRPXSPJQO-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,19-20H2,1-2H3/b27-26-.
What are the key properties of (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile?
(Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile has a molecular weight of 412.53 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enenitrile is sourced from PubChem (CID 24825444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).