3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide

C11H20N2O3 — CID 59445482

IUPAC3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide
SMILESCNC(CNC(=O)CC(C)C(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-7(8(2)14)5-11(16)13-6-10(12-4)9(3)15/h7,10,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyKQAZEZMATFVGHR-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.11
Rot. Bonds7

About 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide

3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide (PubChem CID 59445482) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide
PubChem CID59445482
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide
SMILESCNC(CNC(=O)CC(C)C(C)=O)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-7(8(2)14)5-11(16)13-6-10(12-4)9(3)15/h7,10,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyKQAZEZMATFVGHR-UHFFFAOYSA-N
XLogP-0.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide (CID 59445482) is 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide is CNC(CNC(=O)CC(C)C(C)=O)C(C)=O.
What is the InChIKey of 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide?
The InChIKey is KQAZEZMATFVGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(8(2)14)5-11(16)13-6-10(12-4)9(3)15/h7,10,12H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide?
3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide has a molecular weight of 228.29 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)-3-oxobutyl]-4-oxopentanamide is sourced from PubChem (CID 59445482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).