4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one

C22H24N2O2 — CID 71435376

IUPAC4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one
SMILESO=C(CC/C=N/CC/N=C/CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(19-9-3-1-4-10-19)13-7-15-23-17-18-24-16-8-14-22(26)20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2/b23-15+,24-16+
InChIKeyWLZOOLKYBMEYTF-DFEHQXHXSA-N
MW348.45 g/mol
LogP4.45
Rot. Bonds11

About 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one

4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one (PubChem CID 71435376) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one
PubChem CID71435376
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one
SMILESO=C(CC/C=N/CC/N=C/CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(19-9-3-1-4-10-19)13-7-15-23-17-18-24-16-8-14-22(26)20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2/b23-15+,24-16+
InChIKeyWLZOOLKYBMEYTF-DFEHQXHXSA-N
XLogP4.45
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-[2-(3-oxo-3-phenylpropyl)sulfanylethylsulfanyl]-1-phenylpropan-1-one
CID 4144349
methanethiol;1-phenylbutan-1-one
CID 143799522
5-oxo-5-phenylpentanamide
CID 3787245
molecular hydrogen;1-phenylbutan-1-one
CID 142208814

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one?
The IUPAC name of 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one (CID 71435376) is 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one is O=C(CC/C=N/CC/N=C/CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one?
The InChIKey is WLZOOLKYBMEYTF-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(19-9-3-1-4-10-19)13-7-15-23-17-18-24-16-8-14-22(26)20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2/b23-15+,24-16+.
What are the key properties of 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one?
4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one has a molecular weight of 348.45 g/mol, XLogP of 4.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-oxo-4-phenylbutylidene)amino]ethylimino]-1-phenylbutan-1-one is sourced from PubChem (CID 71435376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).