butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane

C15H32N2O6 — CID 157151127

IUPACbutan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
SMILESC.CCC(C)=O.CCNC(=O)OCC(COC(=O)NCC)OC
InChIInChI=1S/C10H20N2O5.C4H8O.CH4/c1-4-11-9(13)16-6-8(15-3)7-17-10(14)12-5-2;1-3-4(2)5;/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);3H2,1-2H3;1H4
InChIKeyALGOHYUVHWBNLS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.12
Rot. Bonds8

About butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane

butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane (PubChem CID 157151127) has the molecular formula C15H32N2O6 and a molecular weight of 336.43 g/mol. Its IUPAC name is butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane.

Molecular Properties

Compound Namebutan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
PubChem CID157151127
Molecular FormulaC15H32N2O6
Molecular Weight336.43 g/mol
Exact Mass336.23
IUPAC Namebutan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
SMILESC.CCC(C)=O.CCNC(=O)OCC(COC(=O)NCC)OC
InChIInChI=1S/C10H20N2O5.C4H8O.CH4/c1-4-11-9(13)16-6-8(15-3)7-17-10(14)12-5-2;1-3-4(2)5;/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);3H2,1-2H3;1H4
InChIKeyALGOHYUVHWBNLS-UHFFFAOYSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2,3-bis(ethylcarbamoyloxy)propyl 2-oxobutanoate
CID 100978128
2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
CID 59185255
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
CID 90904872
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
azane;ethyl N-ethylcarbamate
CID 88547448
(2-formyl-3-hydroxypropyl) N-ethylcarbamate
CID 91253334
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
bis(butan-2-one);methane
CID 160665705
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
carboxymethyl-[2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl]-dimethylazanium
CID 19829293

Frequently Asked Questions

What is the IUPAC name of butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane?
The IUPAC name of butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane (CID 157151127) is butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane.
What is the SMILES notation for butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane?
The canonical SMILES for butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane is C.CCC(C)=O.CCNC(=O)OCC(COC(=O)NCC)OC.
What is the InChIKey of butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane?
The InChIKey is ALGOHYUVHWBNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5.C4H8O.CH4/c1-4-11-9(13)16-6-8(15-3)7-17-10(14)12-5-2;1-3-4(2)5;/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);3H2,1-2H3;1H4.
What are the key properties of butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane?
butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane has a molecular weight of 336.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane is sourced from PubChem (CID 157151127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).