2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide

C12H23NO3 — CID 20681255

IUPAC2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCC(=O)C(OCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)6-13-11(15)7-16-12(9(3)4)10(5)14/h8-9,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyCSKPWYMYMLTRGR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.39
Rot. Bonds7

About 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide

2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide (PubChem CID 20681255) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide
PubChem CID20681255
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCC(=O)C(OCC(=O)NCC(C)C)C(C)C
InChIInChI=1S/C12H23NO3/c1-8(2)6-13-11(15)7-16-12(9(3)4)10(5)14/h8-9,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyCSKPWYMYMLTRGR-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide (CID 20681255) is 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide is CC(=O)C(OCC(=O)NCC(C)C)C(C)C.
What is the InChIKey of 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide?
The InChIKey is CSKPWYMYMLTRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)6-13-11(15)7-16-12(9(3)4)10(5)14/h8-9,12H,6-7H2,1-5H3,(H,13,15).
What are the key properties of 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide?
2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 20681255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).