N-(5-oxo-2-propan-2-ylhexyl)acetamide

C11H21NO2 — CID 158936357

IUPACN-(5-oxo-2-propan-2-ylhexyl)acetamide
SMILESCC(=O)CCC(CNC(C)=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-5-9(3)13)7-12-10(4)14/h8,11H,5-7H2,1-4H3,(H,12,14)
InChIKeyWHDVGOJZSUXSAB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.76
Rot. Bonds6

About N-(5-oxo-2-propan-2-ylhexyl)acetamide

N-(5-oxo-2-propan-2-ylhexyl)acetamide (PubChem CID 158936357) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-oxo-2-propan-2-ylhexyl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-2-propan-2-ylhexyl)acetamide
PubChem CID158936357
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-oxo-2-propan-2-ylhexyl)acetamide
SMILESCC(=O)CCC(CNC(C)=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-5-9(3)13)7-12-10(4)14/h8,11H,5-7H2,1-4H3,(H,12,14)
InChIKeyWHDVGOJZSUXSAB-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(hydroxymethyl)-6-methylheptan-2-one
CID 101348452
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[2-(4-methylphenyl)-5-oxohexyl]acetamide
CID 102318801
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
(5S)-5-hydroxyhexan-2-one
CID 11491928
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
5-hydrazinylhexan-2-one
CID 90310478
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-(2-methoxypropyl)acetamide
CID 90876780
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
5-(tert-butylamino)-6-methylheptan-2-one
CID 89076225

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2-propan-2-ylhexyl)acetamide?
The IUPAC name of N-(5-oxo-2-propan-2-ylhexyl)acetamide (CID 158936357) is N-(5-oxo-2-propan-2-ylhexyl)acetamide.
What is the SMILES notation for N-(5-oxo-2-propan-2-ylhexyl)acetamide?
The canonical SMILES for N-(5-oxo-2-propan-2-ylhexyl)acetamide is CC(=O)CCC(CNC(C)=O)C(C)C.
What is the InChIKey of N-(5-oxo-2-propan-2-ylhexyl)acetamide?
The InChIKey is WHDVGOJZSUXSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(6-5-9(3)13)7-12-10(4)14/h8,11H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(5-oxo-2-propan-2-ylhexyl)acetamide?
N-(5-oxo-2-propan-2-ylhexyl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2-propan-2-ylhexyl)acetamide is sourced from PubChem (CID 158936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).