2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide

C15H30N2O3 — CID 139253855

IUPAC2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(CONC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O3/c1-10(2)8-16-13(18)12(11(3)4)9-20-17-14(19)15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18)(H,17,19)
InChIKeyVQPQXQPJPYCYQG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.12
Rot. Bonds7

About 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide

2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 139253855) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID139253855
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(CONC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2O3/c1-10(2)8-16-13(18)12(11(3)4)9-20-17-14(19)15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18)(H,17,19)
InChIKeyVQPQXQPJPYCYQG-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)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 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide (CID 139253855) is 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(CONC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is VQPQXQPJPYCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)8-16-13(18)12(11(3)4)9-20-17-14(19)15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide?
2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 286.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 139253855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).