[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate

C15H29N3O7 — CID 163556268

IUPAC[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(=O)CON
InChIInChI=1S/C15H29N3O7/c1-4-17-14(20)23-8-12(9-24-15(21)18-5-2)22-7-6-11(3)13(19)10-25-16/h11-12H,4-10,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRJYJYHZOLQFXPL-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.35
Rot. Bonds13

About [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate

[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate (PubChem CID 163556268) has the molecular formula C15H29N3O7 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
PubChem CID163556268
Molecular FormulaC15H29N3O7
Molecular Weight363.41 g/mol
Exact Mass363.20
IUPAC Name[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(=O)CON
InChIInChI=1S/C15H29N3O7/c1-4-17-14(20)23-8-12(9-24-15(21)18-5-2)22-7-6-11(3)13(19)10-25-16/h11-12H,4-10,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRJYJYHZOLQFXPL-UHFFFAOYSA-N
XLogP0.35
TPSA138.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864
[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729878
2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507381
[2-(4-oxopentoxy)-3-(propylcarbamoyloxy)propyl] N-(3-methylbutyl)carbamate
CID 121263453
ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
CID 158569207
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
CID 163544048
[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;iodomethane;vanadium
CID 163556267
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
CID 163544049

Frequently Asked Questions

What is the IUPAC name of [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate?
The IUPAC name of [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate (CID 163556268) is [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate.
What is the SMILES notation for [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate?
The canonical SMILES for [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate is CCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(=O)CON.
What is the InChIKey of [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate?
The InChIKey is RJYJYHZOLQFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O7/c1-4-17-14(20)23-8-12(9-24-15(21)18-5-2)22-7-6-11(3)13(19)10-25-16/h11-12H,4-10,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate?
[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate has a molecular weight of 363.41 g/mol, XLogP of 0.35, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate is sourced from PubChem (CID 163556268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).