[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium

C15H30N3O7V- — CID 163544048

IUPAC[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CON.[CH3-].[V]
InChIInChI=1S/C14H27N3O7.CH3.V/c1-3-16-13(19)22-9-12(10-23-14(20)17-4-2)21-7-5-6-11(18)8-24-15;;/h12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20);1H3;/q;-1;
InChIKeyQKGCXJSYSLXFPS-UHFFFAOYSA-N
MW415.36 g/mol
LogP0.55
Rot. Bonds13

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

[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium (PubChem CID 163544048) has the molecular formula C15H30N3O7V- and a molecular weight of 415.36 g/mol. Its IUPAC name is [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium.

Molecular Properties

Compound Name[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
PubChem CID163544048
Molecular FormulaC15H30N3O7V-
Molecular Weight415.36 g/mol
Exact Mass415.15
IUPAC Name[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CON.[CH3-].[V]
InChIInChI=1S/C14H27N3O7.CH3.V/c1-3-16-13(19)22-9-12(10-23-14(20)17-4-2)21-7-5-6-11(18)8-24-15;;/h12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20);1H3;/q;-1;
InChIKeyQKGCXJSYSLXFPS-UHFFFAOYSA-N
XLogP0.55
TPSA138.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
2-(4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507382
ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate
CID 161049130
[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate
CID 163467472
[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;iodomethane;vanadium
CID 163556267
2,3-Bis(ethylcarbamoyloxy)propyl 2-oxobutanoate
CID 100978128
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
CID 163544049
[2-(5-aminooxy-3-methyl-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
CID 163556268
[3-(ethylcarbamoyloxy)-2-[5-(ethylideneamino)oxy-4-oxopentoxy]propyl] N-ethylcarbamate
CID 163930713
[3-(ethylcarbamoyloxy)-2-[5-[(E)-ethylideneamino]oxy-4-oxopentoxy]propyl] N-ethylcarbamate
CID 172940400

Frequently Asked Questions

What is the IUPAC name of [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium?
The IUPAC name of [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium (CID 163544048) is [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium.
What is the SMILES notation for [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium?
The canonical SMILES for [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium is CCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CON.[CH3-].[V].
What is the InChIKey of [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium?
The InChIKey is QKGCXJSYSLXFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O7.CH3.V/c1-3-16-13(19)22-9-12(10-23-14(20)17-4-2)21-7-5-6-11(18)8-24-15;;/h12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20);1H3;/q;-1;.
What are the key properties of [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium?
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium has a molecular weight of 415.36 g/mol, XLogP of 0.55, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium is sourced from PubChem (CID 163544048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).