N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide

C11H21NO2 — CID 18683507

IUPACN-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)C(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(13)12-11(5,6)9(14)7-10(2,3)4/h7H2,1-6H3,(H,12,13)
InChIKeyXBJLODPNXYOLIH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds3

About N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide

N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide (PubChem CID 18683507) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide
PubChem CID18683507
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)C(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(13)12-11(5,6)9(14)7-10(2,3)4/h7H2,1-6H3,(H,12,13)
InChIKeyXBJLODPNXYOLIH-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide?
The IUPAC name of N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide (CID 18683507) is N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide.
What is the SMILES notation for N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide?
The canonical SMILES for N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide is CC(=O)NC(C)(C)C(=O)CC(C)(C)C.
What is the InChIKey of N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide?
The InChIKey is XBJLODPNXYOLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(13)12-11(5,6)9(14)7-10(2,3)4/h7H2,1-6H3,(H,12,13).
What are the key properties of N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide?
N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,5-trimethyl-3-oxohexan-2-yl)acetamide is sourced from PubChem (CID 18683507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).