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

C15H28N2O6 — CID 58729878

IUPAC[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(C)=O
InChIInChI=1S/C15H28N2O6/c1-5-16-14(19)22-9-13(10-23-15(20)17-6-2)21-8-7-11(3)12(4)18/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyJTUFBXCOZKSTLU-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.48
Rot. Bonds11

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

[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate (PubChem CID 58729878) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate
PubChem CID58729878
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(C)=O
InChIInChI=1S/C15H28N2O6/c1-5-16-14(19)22-9-13(10-23-15(20)17-6-2)21-8-7-11(3)12(4)18/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyJTUFBXCOZKSTLU-UHFFFAOYSA-N
XLogP1.48
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate?
The IUPAC name of [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate (CID 58729878) is [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate.
What is the SMILES notation for [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate?
The canonical SMILES for [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate is CCNC(=O)OCC(COC(=O)NCC)OCCC(C)C(C)=O.
What is the InChIKey of [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate?
The InChIKey is JTUFBXCOZKSTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-5-16-14(19)22-9-13(10-23-15(20)17-6-2)21-8-7-11(3)12(4)18/h11,13H,5-10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate?
[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate has a molecular weight of 332.40 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate is sourced from PubChem (CID 58729878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).