[benzoyl(propan-2-yloxy)amino] acetate

C12H15NO4 — CID 3025738

IUPAC[benzoyl(propan-2-yloxy)amino] acetate
SMILESCC(=O)ON(OC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-9(2)16-13(17-10(3)14)12(15)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyGKNMRKKWVRAAOW-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.95
Rot. Bonds3

About [benzoyl(propan-2-yloxy)amino] acetate

[benzoyl(propan-2-yloxy)amino] acetate (PubChem CID 3025738) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [benzoyl(propan-2-yloxy)amino] acetate.

Molecular Properties

Compound Name[benzoyl(propan-2-yloxy)amino] acetate
PubChem CID3025738
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[benzoyl(propan-2-yloxy)amino] acetate
SMILESCC(=O)ON(OC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-9(2)16-13(17-10(3)14)12(15)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyGKNMRKKWVRAAOW-UHFFFAOYSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzoyl(propan-2-yloxy)amino] acetate?
The IUPAC name of [benzoyl(propan-2-yloxy)amino] acetate (CID 3025738) is [benzoyl(propan-2-yloxy)amino] acetate.
What is the SMILES notation for [benzoyl(propan-2-yloxy)amino] acetate?
The canonical SMILES for [benzoyl(propan-2-yloxy)amino] acetate is CC(=O)ON(OC(C)C)C(=O)c1ccccc1.
What is the InChIKey of [benzoyl(propan-2-yloxy)amino] acetate?
The InChIKey is GKNMRKKWVRAAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(2)16-13(17-10(3)14)12(15)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of [benzoyl(propan-2-yloxy)amino] acetate?
[benzoyl(propan-2-yloxy)amino] acetate has a molecular weight of 237.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl(propan-2-yloxy)amino] acetate is sourced from PubChem (CID 3025738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).