N,N-dibutyl-4-oxo-4-phenylbutanamide

C18H27NO2 — CID 10684868

IUPACN,N-dibutyl-4-oxo-4-phenylbutanamide
SMILESCCCCN(CCCC)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-5-14-19(15-6-4-2)18(21)13-12-17(20)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
InChIKeyHAESHOATZSYEQE-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.08
Rot. Bonds10

About N,N-dibutyl-4-oxo-4-phenylbutanamide

N,N-dibutyl-4-oxo-4-phenylbutanamide (PubChem CID 10684868) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-dibutyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN,N-dibutyl-4-oxo-4-phenylbutanamide
PubChem CID10684868
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN,N-dibutyl-4-oxo-4-phenylbutanamide
SMILESCCCCN(CCCC)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-5-14-19(15-6-4-2)18(21)13-12-17(20)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
InChIKeyHAESHOATZSYEQE-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
ethane;1-phenylpentan-1-one
CID 143728184
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
1-phenylheptadecan-1-one
CID 577626
benzoic acid;dibutylcarbamic acid
CID 160812669
1-phenylnonane-1,4-dione
CID 570990
1-phenylbutan-1-one
CID 10315
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
(3S)-3-bromo-N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 129383719
N,N-dihexyl-3-phenylpropanamide
CID 532921

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N,N-dibutyl-4-oxo-4-phenylbutanamide (CID 10684868) is N,N-dibutyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N,N-dibutyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N,N-dibutyl-4-oxo-4-phenylbutanamide is CCCCN(CCCC)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N,N-dibutyl-4-oxo-4-phenylbutanamide?
The InChIKey is HAESHOATZSYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-5-14-19(15-6-4-2)18(21)13-12-17(20)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3.
What are the key properties of N,N-dibutyl-4-oxo-4-phenylbutanamide?
N,N-dibutyl-4-oxo-4-phenylbutanamide has a molecular weight of 289.42 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 10684868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).