N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide

C9H17NO2 — CID 58992304

IUPACN-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)10(5)6-8(12)9(2,3)4/h6H2,1-5H3
InChIKeyAFKIIZKZKNURMX-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide

N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide (PubChem CID 58992304) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
PubChem CID58992304
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)10(5)6-8(12)9(2,3)4/h6H2,1-5H3
InChIKeyAFKIIZKZKNURMX-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide (CID 58992304) is N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide is CC(=O)N(C)CC(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide?
The InChIKey is AFKIIZKZKNURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10(5)6-8(12)9(2,3)4/h6H2,1-5H3.
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide?
N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-N-methylacetamide is sourced from PubChem (CID 58992304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).