2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide

C12H24N2O2 — CID 58090177

IUPAC2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)C(NC(=O)C(C)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7(2)9(5)11(15)14-10(8(3)4)12(16)13-6/h7-10H,1-6H3,(H,13,16)(H,14,15)
InChIKeySMZXISVMVLZQIK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide

2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (PubChem CID 58090177) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
PubChem CID58090177
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)C(NC(=O)C(C)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7(2)9(5)11(15)14-10(8(3)4)12(16)13-6/h7-10H,1-6H3,(H,13,16)(H,14,15)
InChIKeySMZXISVMVLZQIK-UHFFFAOYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The IUPAC name of 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (CID 58090177) is 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The canonical SMILES for 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is CNC(=O)C(NC(=O)C(C)C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The InChIKey is SMZXISVMVLZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7(2)9(5)11(15)14-10(8(3)4)12(16)13-6/h7-10H,1-6H3,(H,13,16)(H,14,15).
What are the key properties of 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 58090177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).