2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide

C9H17NO3 — CID 170610348

IUPAC2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
SMILESCOCC(=O)N(C)CC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)5-10(3)9(12)6-13-4/h7H,5-6H2,1-4H3
InChIKeyOOLILOKUXSFWTA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds5

About 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide

2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide (PubChem CID 170610348) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
PubChem CID170610348
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide
SMILESCOCC(=O)N(C)CC(=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)8(11)5-10(3)9(12)6-13-4/h7H,5-6H2,1-4H3
InChIKeyOOLILOKUXSFWTA-UHFFFAOYSA-N
XLogP0.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide (CID 170610348) is 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide is COCC(=O)N(C)CC(=O)C(C)C.
What is the InChIKey of 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide?
The InChIKey is OOLILOKUXSFWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)8(11)5-10(3)9(12)6-13-4/h7H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide?
2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide has a molecular weight of 187.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(3-methyl-2-oxobutyl)acetamide is sourced from PubChem (CID 170610348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).