1,1-diphenylethylbenzene;prop-2-enamide

C23H23NO — CID 174910563

IUPAC1,1-diphenylethylbenzene;prop-2-enamide
SMILESC=CC(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18.C3H5NO/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3(4)5/h2-16H,1H3;2H,1H2,(H2,4,5)
InChIKeyXVWQJQOLHZPSEJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.70
Rot. Bonds4

About 1,1-diphenylethylbenzene;prop-2-enamide

1,1-diphenylethylbenzene;prop-2-enamide (PubChem CID 174910563) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1,1-diphenylethylbenzene;prop-2-enamide.

Molecular Properties

Compound Name1,1-diphenylethylbenzene;prop-2-enamide
PubChem CID174910563
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1,1-diphenylethylbenzene;prop-2-enamide
SMILESC=CC(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18.C3H5NO/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3(4)5/h2-16H,1H3;2H,1H2,(H2,4,5)
InChIKeyXVWQJQOLHZPSEJ-UHFFFAOYSA-N
XLogP4.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,1-diphenylethylbenzene;prop-2-enamide 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

phthalic acid;prop-2-enamide
CID 89485931
benzene;prop-2-enamide;hydrobromide
CID 174943070
oxaldehyde;bis(prop-2-enamide);toluene
CID 158689707
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
CID 174883797
2-ethenyl-2-phenylbut-3-enamide
CID 121008159
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
CID 118555479
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
cyclobutene-1,2-dicarboxylic acid;prop-2-enamide
CID 88706863
anthracene-9,10-dione;prop-2-enamide
CID 67819663
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethylbenzene;prop-2-enamide?
The IUPAC name of 1,1-diphenylethylbenzene;prop-2-enamide (CID 174910563) is 1,1-diphenylethylbenzene;prop-2-enamide.
What is the SMILES notation for 1,1-diphenylethylbenzene;prop-2-enamide?
The canonical SMILES for 1,1-diphenylethylbenzene;prop-2-enamide is C=CC(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylethylbenzene;prop-2-enamide?
The InChIKey is XVWQJQOLHZPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C3H5NO/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-3(4)5/h2-16H,1H3;2H,1H2,(H2,4,5).
What are the key properties of 1,1-diphenylethylbenzene;prop-2-enamide?
1,1-diphenylethylbenzene;prop-2-enamide has a molecular weight of 329.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethylbenzene;prop-2-enamide is sourced from PubChem (CID 174910563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).