[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate

C10H20N2O4 — CID 58493133

IUPAC[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(C)COC(=O)NCC
InChIInChI=1S/C10H20N2O4/c1-4-11-9(13)15-6-8(3)7-16-10(14)12-5-2/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyOYPKHBPLVJHIRO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.11
Rot. Bonds6

About [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate

[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate (PubChem CID 58493133) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
PubChem CID58493133
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(C)COC(=O)NCC
InChIInChI=1S/C10H20N2O4/c1-4-11-9(13)15-6-8(3)7-16-10(14)12-5-2/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyOYPKHBPLVJHIRO-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutyl N-propylcarbamate
CID 127538020
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
azane;ethyl N-ethylcarbamate
CID 88547448
(2-formyl-3-hydroxypropyl) N-ethylcarbamate
CID 91253334
butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
CID 157151127
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
2-methylbutyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 58871556
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
bis(ethylcarbamoyloxymethyl)boranylmethyl N-ethylcarbamate
CID 59950979
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
2-(2-methylpropylamino)ethyl N-ethylcarbamate
CID 138728445
but-2-ynyl N-ethylcarbamate
CID 91110394

Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate?
The IUPAC name of [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate (CID 58493133) is [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate.
What is the SMILES notation for [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate?
The canonical SMILES for [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate is CCNC(=O)OCC(C)COC(=O)NCC.
What is the InChIKey of [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate?
The InChIKey is OYPKHBPLVJHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-11-9(13)15-6-8(3)7-16-10(14)12-5-2/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate?
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate has a molecular weight of 232.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate is sourced from PubChem (CID 58493133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).