(2-aminophenyl) N-propan-2-ylcarbamoperoxoate

C10H14N2O3 — CID 164908695

IUPAC(2-aminophenyl) N-propan-2-ylcarbamoperoxoate
SMILESCC(C)NC(=O)OOc1ccccc1N
InChIInChI=1S/C10H14N2O3/c1-7(2)12-10(13)15-14-9-6-4-3-5-8(9)11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyBKEBHOXNCZYSBX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.70
Rot. Bonds3

About (2-aminophenyl) N-propan-2-ylcarbamoperoxoate

(2-aminophenyl) N-propan-2-ylcarbamoperoxoate (PubChem CID 164908695) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2-aminophenyl) N-propan-2-ylcarbamoperoxoate.

Molecular Properties

Compound Name(2-aminophenyl) N-propan-2-ylcarbamoperoxoate
PubChem CID164908695
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2-aminophenyl) N-propan-2-ylcarbamoperoxoate
SMILESCC(C)NC(=O)OOc1ccccc1N
InChIInChI=1S/C10H14N2O3/c1-7(2)12-10(13)15-14-9-6-4-3-5-8(9)11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyBKEBHOXNCZYSBX-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) N-propan-2-ylcarbamoperoxoate?
The IUPAC name of (2-aminophenyl) N-propan-2-ylcarbamoperoxoate (CID 164908695) is (2-aminophenyl) N-propan-2-ylcarbamoperoxoate.
What is the SMILES notation for (2-aminophenyl) N-propan-2-ylcarbamoperoxoate?
The canonical SMILES for (2-aminophenyl) N-propan-2-ylcarbamoperoxoate is CC(C)NC(=O)OOc1ccccc1N.
What is the InChIKey of (2-aminophenyl) N-propan-2-ylcarbamoperoxoate?
The InChIKey is BKEBHOXNCZYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)12-10(13)15-14-9-6-4-3-5-8(9)11/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of (2-aminophenyl) N-propan-2-ylcarbamoperoxoate?
(2-aminophenyl) N-propan-2-ylcarbamoperoxoate has a molecular weight of 210.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) N-propan-2-ylcarbamoperoxoate is sourced from PubChem (CID 164908695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).