propan-2-yl 2-acetamidoethaneperoxoate

C7H13NO4 — CID 160931805

IUPACpropan-2-yl 2-acetamidoethaneperoxoate
SMILESCC(=O)NCC(=O)OOC(C)C
InChIInChI=1S/C7H13NO4/c1-5(2)11-12-7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyDKDLMERCXFIIQF-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.01
Rot. Bonds4

About propan-2-yl 2-acetamidoethaneperoxoate

propan-2-yl 2-acetamidoethaneperoxoate (PubChem CID 160931805) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is propan-2-yl 2-acetamidoethaneperoxoate.

Molecular Properties

Compound Namepropan-2-yl 2-acetamidoethaneperoxoate
PubChem CID160931805
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namepropan-2-yl 2-acetamidoethaneperoxoate
SMILESCC(=O)NCC(=O)OOC(C)C
InChIInChI=1S/C7H13NO4/c1-5(2)11-12-7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyDKDLMERCXFIIQF-UHFFFAOYSA-N
XLogP0.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-acetamidoethaneperoxoate with MolForge

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

Launch Full Analysis

Related Compounds

bis(propan-2-yl 3-oxobutaneperoxoate);titanium
CID 87089765
bis((2-oxo-2-propan-2-ylperoxyethyl) acetate);titanium
CID 158036087
4-[2-(2-acetamidoacetyl)oxypropanoyloxy]butanoic acid
CID 126736358
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
prop-2-ynyl 2-acetamidoacetate
CID 131210561
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
propan-2-yl 2,2-dimethylpropaneperoxoate
CID 54308386
methane;methyl N-(3-methyl-2-oxobutyl)carbamate;N-(3-methyl-2-oxobutyl)acetamide
CID 162245001
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
[(2-acetamidoacetyl)amino]methyl acetate
CID 126495792
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
2-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-acetamidoethaneperoxoate?
The IUPAC name of propan-2-yl 2-acetamidoethaneperoxoate (CID 160931805) is propan-2-yl 2-acetamidoethaneperoxoate.
What is the SMILES notation for propan-2-yl 2-acetamidoethaneperoxoate?
The canonical SMILES for propan-2-yl 2-acetamidoethaneperoxoate is CC(=O)NCC(=O)OOC(C)C.
What is the InChIKey of propan-2-yl 2-acetamidoethaneperoxoate?
The InChIKey is DKDLMERCXFIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(2)11-12-7(10)4-8-6(3)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of propan-2-yl 2-acetamidoethaneperoxoate?
propan-2-yl 2-acetamidoethaneperoxoate has a molecular weight of 175.18 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-acetamidoethaneperoxoate is sourced from PubChem (CID 160931805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).