3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide

C11H18N2O4 — CID 91021029

IUPAC3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide
SMILESCC(=O)CNC(=O)C(C)NC(=O)C(=O)C(C)C
InChIInChI=1S/C11H18N2O4/c1-6(2)9(15)11(17)13-8(4)10(16)12-5-7(3)14/h6,8H,5H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyTZHAUXQMDSIZEH-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.58
Rot. Bonds6

About 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide

3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide (PubChem CID 91021029) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide
PubChem CID91021029
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide
SMILESCC(=O)CNC(=O)C(C)NC(=O)C(=O)C(C)C
InChIInChI=1S/C11H18N2O4/c1-6(2)9(15)11(17)13-8(4)10(16)12-5-7(3)14/h6,8H,5H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyTZHAUXQMDSIZEH-UHFFFAOYSA-N
XLogP-0.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide?
The IUPAC name of 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide (CID 91021029) is 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide?
The canonical SMILES for 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide is CC(=O)CNC(=O)C(C)NC(=O)C(=O)C(C)C.
What is the InChIKey of 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide?
The InChIKey is TZHAUXQMDSIZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6(2)9(15)11(17)13-8(4)10(16)12-5-7(3)14/h6,8H,5H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide?
3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide has a molecular weight of 242.27 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[1-oxo-1-(2-oxopropylamino)propan-2-yl]butanamide is sourced from PubChem (CID 91021029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).