4-oxo-N,N,4-triphenylbutanamide

C22H19NO2 — CID 11695603

IUPAC4-oxo-N,N,4-triphenylbutanamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(18-10-4-1-5-11-18)16-17-22(25)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKMNAVNSIYOICJF-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.01
Rot. Bonds6

About 4-oxo-N,N,4-triphenylbutanamide

4-oxo-N,N,4-triphenylbutanamide (PubChem CID 11695603) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-oxo-N,N,4-triphenylbutanamide.

Molecular Properties

Compound Name4-oxo-N,N,4-triphenylbutanamide
PubChem CID11695603
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-oxo-N,N,4-triphenylbutanamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21(18-10-4-1-5-11-18)16-17-22(25)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyKMNAVNSIYOICJF-UHFFFAOYSA-N
XLogP5.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,N-diphenylpropanamide
CID 3331408
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
N',N'-diphenyldodecanediamide
CID 70400318
1,8-diphenyloctane-1,4,8-trione
CID 140639847
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
CID 6912772
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N,4-triphenylbutanamide?
The IUPAC name of 4-oxo-N,N,4-triphenylbutanamide (CID 11695603) is 4-oxo-N,N,4-triphenylbutanamide.
What is the SMILES notation for 4-oxo-N,N,4-triphenylbutanamide?
The canonical SMILES for 4-oxo-N,N,4-triphenylbutanamide is O=C(CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-oxo-N,N,4-triphenylbutanamide?
The InChIKey is KMNAVNSIYOICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21(18-10-4-1-5-11-18)16-17-22(25)23(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4-oxo-N,N,4-triphenylbutanamide?
4-oxo-N,N,4-triphenylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N,4-triphenylbutanamide is sourced from PubChem (CID 11695603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).