(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile

C21H22N2O — CID 7232130

IUPAC(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile
SMILESCC(=Cc1ccccc1)[C@](C#N)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H22N2O/c1-18(16-19-8-4-2-5-9-19)21(17-22,20-10-6-3-7-11-20)23-12-14-24-15-13-23/h2-11,16H,12-15H2,1H3/t21-/m1/s1
InChIKeyFQTXYGOCTWOMRE-OAQYLSRUSA-N
MW318.42 g/mol
LogP3.84
Rot. Bonds4

About (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile

(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile (PubChem CID 7232130) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile.

Molecular Properties

Compound Name(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile
PubChem CID7232130
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile
SMILESCC(=Cc1ccccc1)[C@](C#N)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H22N2O/c1-18(16-19-8-4-2-5-9-19)21(17-22,20-10-6-3-7-11-20)23-12-14-24-15-13-23/h2-11,16H,12-15H2,1H3/t21-/m1/s1
InChIKeyFQTXYGOCTWOMRE-OAQYLSRUSA-N
XLogP3.84
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-phenylbut-3-en-2-yl)morpholine
CID 132502608
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
CID 14076583
(2S,3S)-3-methyl-4-methylsulfanyl-2-morpholin-4-yl-2-phenylbutanenitrile
CID 6991414
4-[(4-methoxyphenyl)-diphenylmethyl]morpholine
CID 70697309
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246
3-morpholin-4-yl-3-phenylhexanoic acid
CID 64528715
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
3-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylpropanal
CID 170182507
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile?
The IUPAC name of (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile (CID 7232130) is (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile.
What is the SMILES notation for (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile?
The canonical SMILES for (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile is CC(=Cc1ccccc1)[C@](C#N)(c1ccccc1)N1CCOCC1.
What is the InChIKey of (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile?
The InChIKey is FQTXYGOCTWOMRE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O/c1-18(16-19-8-4-2-5-9-19)21(17-22,20-10-6-3-7-11-20)23-12-14-24-15-13-23/h2-11,16H,12-15H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile?
(2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile has a molecular weight of 318.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-morpholin-4-yl-2,4-diphenylbut-3-enenitrile is sourced from PubChem (CID 7232130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).