(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile

C20H22N2 — CID 91740452

IUPAC(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCCN(CC)c1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2/c1-4-22(5-2)20-12-8-17(9-13-20)14-19(15-21)18-10-6-16(3)7-11-18/h6-14H,4-5H2,1-3H3/b19-14+
InChIKeyMLVOHPFQSNGDMA-XMHGGMMESA-N
MW290.41 g/mol
LogP4.91
Rot. Bonds5

About (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile

(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile (PubChem CID 91740452) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
PubChem CID91740452
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCCN(CC)c1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2/c1-4-22(5-2)20-12-8-17(9-13-20)14-19(15-21)18-10-6-16(3)7-11-18/h6-14H,4-5H2,1-3H3/b19-14+
InChIKeyMLVOHPFQSNGDMA-XMHGGMMESA-N
XLogP4.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(Z)-2-(4-chlorophenyl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 17272599
4-[1-cyano-2-[4-(diethylamino)phenyl]ethenyl]benzoic acid
CID 3535833
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile
CID 5474273
(Z)-3-[4-(dibutylamino)phenyl]-2-[4-[(Z)-1-isocyano-2-(4-methylphenyl)ethenyl]phenyl]prop-2-enenitrile
CID 158938003
(Z)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-[4-(diethylamino)phenyl]prop-2-enenitrile;hydrochloride
CID 54603588
(E)-3-[1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21375128
(Z)-2-[4-(diethylamino)phenyl]but-2-enedinitrile
CID 67840148
2-[4-[1-isocyano-2-(4-methylphenyl)ethenyl]phenyl]-3-(4-methylphenyl)prop-2-enenitrile
CID 74007189
(E)-3-[4-(diethylamino)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile chloride
CID 21208552
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
(E)-2-(4-chlorophenyl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile
CID 126249436

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile (CID 91740452) is (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile is CCN(CC)c1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile?
The InChIKey is MLVOHPFQSNGDMA-XMHGGMMESA-N. The full InChI is InChI=1S/C20H22N2/c1-4-22(5-2)20-12-8-17(9-13-20)14-19(15-21)18-10-6-16(3)7-11-18/h6-14H,4-5H2,1-3H3/b19-14+.
What are the key properties of (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile?
(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile has a molecular weight of 290.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 91740452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).