2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide

C17H25NO2 — CID 21340974

IUPAC2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-10-18-16(20)12-14-8-6-13(7-9-14)11-15(19)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyGLDSNAQIEJTXQN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide

2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide (PubChem CID 21340974) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
PubChem CID21340974
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(CC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-10-18-16(20)12-14-8-6-13(7-9-14)11-15(19)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyGLDSNAQIEJTXQN-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
1-(4-acetylphenyl)-3,3-dimethylbutan-2-one
CID 122675580
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
(4-nitrophenyl) [4-[2-oxo-2-(propylamino)ethyl]phenyl] carbonate
CID 102331178
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-bromophenyl)-N-propylacetamide
CID 4084138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide?
The IUPAC name of 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide (CID 21340974) is 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide is CCCNC(=O)Cc1ccc(CC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide?
The InChIKey is GLDSNAQIEJTXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-10-18-16(20)12-14-8-6-13(7-9-14)11-15(19)17(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide?
2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide has a molecular weight of 275.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide is sourced from PubChem (CID 21340974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).