2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide

C24H23NO — CID 71527195

IUPAC2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)c(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO/c1-18-14-15-21(24(26)25(2)3)23(16-18)22(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-17H,1-3H3/b22-17+
InChIKeyVXTIPRDPNKCWLB-OQKWZONESA-N
MW341.45 g/mol
LogP5.29
Rot. Bonds4

About 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide

2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide (PubChem CID 71527195) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
PubChem CID71527195
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)c(/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO/c1-18-14-15-21(24(26)25(2)3)23(16-18)22(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-17H,1-3H3/b22-17+
InChIKeyVXTIPRDPNKCWLB-OQKWZONESA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
3-[(E)-1,2-diphenylethenyl]-N,N-dimethylbenzamide
CID 121493703
4-[1-(2,4-dimethylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 67654741
[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
CID 71615857
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
2-(dimethylamino)-N,N,5-trimethylbenzamide
CID 118297012
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
CID 12624786

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide?
The IUPAC name of 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide (CID 71527195) is 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide?
The canonical SMILES for 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)c(/C(=C/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide?
The InChIKey is VXTIPRDPNKCWLB-OQKWZONESA-N. The full InChI is InChI=1S/C24H23NO/c1-18-14-15-21(24(26)25(2)3)23(16-18)22(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-17H,1-3H3/b22-17+.
What are the key properties of 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide?
2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-diphenylethenyl]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 71527195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).