N,N-diethyl-4-oxo-4-phenylbutanamide

C14H19NO2 — CID 10399096

IUPACN,N-diethyl-4-oxo-4-phenylbutanamide
SMILESCCN(CC)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-15(4-2)14(17)11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyFDJMRMWUJXYPMB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds6

About N,N-diethyl-4-oxo-4-phenylbutanamide

N,N-diethyl-4-oxo-4-phenylbutanamide (PubChem CID 10399096) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N-diethyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN,N-diethyl-4-oxo-4-phenylbutanamide
PubChem CID10399096
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN,N-diethyl-4-oxo-4-phenylbutanamide
SMILESCCN(CC)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-15(4-2)14(17)11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyFDJMRMWUJXYPMB-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
1-phenylbutan-1-one
CID 10315
ethyl(phenacyl)carbamic acid
CID 70573901
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
1-phenylbutan-1-one;hydrobromide
CID 139638507
N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide
CID 20547339
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylheptadecan-1-one
CID 577626
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N,N-diethyl-4-oxo-4-phenylbutanamide (CID 10399096) is N,N-diethyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N,N-diethyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N,N-diethyl-4-oxo-4-phenylbutanamide is CCN(CC)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N,N-diethyl-4-oxo-4-phenylbutanamide?
The InChIKey is FDJMRMWUJXYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(4-2)14(17)11-10-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-4-oxo-4-phenylbutanamide?
N,N-diethyl-4-oxo-4-phenylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 10399096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).