N,N,3-trimethyl-5-oxo-5-phenylpentanamide

C14H19NO2 — CID 12640870

IUPACN,N,3-trimethyl-5-oxo-5-phenylpentanamide
SMILESCC(CC(=O)c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyFRPQNSIYZRGMFS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds5

About N,N,3-trimethyl-5-oxo-5-phenylpentanamide

N,N,3-trimethyl-5-oxo-5-phenylpentanamide (PubChem CID 12640870) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N,N,3-trimethyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-5-oxo-5-phenylpentanamide
PubChem CID12640870
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN,N,3-trimethyl-5-oxo-5-phenylpentanamide
SMILESCC(CC(=O)c1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyFRPQNSIYZRGMFS-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
(2S)-2-amino-4-methyl-6-oxo-6-phenylhexanoic acid
CID 70525182
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
3-amino-N,N-dimethyl-4-phenylbutanamide
CID 70115085
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489
(3S,4R)-1,3,4-triphenylpentan-1-one
CID 101039537
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-5-oxo-5-phenylpentanamide?
The IUPAC name of N,N,3-trimethyl-5-oxo-5-phenylpentanamide (CID 12640870) is N,N,3-trimethyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N,N,3-trimethyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for N,N,3-trimethyl-5-oxo-5-phenylpentanamide is CC(CC(=O)c1ccccc1)CC(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-5-oxo-5-phenylpentanamide?
The InChIKey is FRPQNSIYZRGMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(10-14(17)15(2)3)9-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N,N,3-trimethyl-5-oxo-5-phenylpentanamide?
N,N,3-trimethyl-5-oxo-5-phenylpentanamide has a molecular weight of 233.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 12640870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).