2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate

C13H18N2O5 — CID 4537743

IUPAC2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate
SMILESCCCOC(=O)NCCOC(=O)N(O)c1ccccc1
InChIInChI=1S/C13H18N2O5/c1-2-9-19-12(16)14-8-10-20-13(17)15(18)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,14,16)
InChIKeyUYQMHYFTYIFUJD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.15
Rot. Bonds6

About 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate

2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate (PubChem CID 4537743) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate.

Molecular Properties

Compound Name2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate
PubChem CID4537743
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate
SMILESCCCOC(=O)NCCOC(=O)N(O)c1ccccc1
InChIInChI=1S/C13H18N2O5/c1-2-9-19-12(16)14-8-10-20-13(17)15(18)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,14,16)
InChIKeyUYQMHYFTYIFUJD-UHFFFAOYSA-N
XLogP2.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate?
The IUPAC name of 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate (CID 4537743) is 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate.
What is the SMILES notation for 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate?
The canonical SMILES for 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate is CCCOC(=O)NCCOC(=O)N(O)c1ccccc1.
What is the InChIKey of 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate?
The InChIKey is UYQMHYFTYIFUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-9-19-12(16)14-8-10-20-13(17)15(18)11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate?
2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate has a molecular weight of 282.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxycarbonylamino)ethyl N-hydroxy-N-phenylcarbamate is sourced from PubChem (CID 4537743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).