methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate

C15H32N2O6 — CID 158361308

IUPACmethane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
SMILESC.C.CCC(=O)CCCOC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C13H24N2O6.2CH4/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3;;/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18);2*1H4
InChIKeyGTMRUKOGJFVNGP-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.12
Rot. Bonds10

About methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate

methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate (PubChem CID 158361308) has the molecular formula C15H32N2O6 and a molecular weight of 336.43 g/mol. Its IUPAC name is methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate.

Molecular Properties

Compound Namemethane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
PubChem CID158361308
Molecular FormulaC15H32N2O6
Molecular Weight336.43 g/mol
Exact Mass336.23
IUPAC Namemethane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
SMILESC.C.CCC(=O)CCCOC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C13H24N2O6.2CH4/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3;;/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18);2*1H4
InChIKeyGTMRUKOGJFVNGP-UHFFFAOYSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
CID 161009364
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
CID 163544048
[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
CID 162133133
6-butan-2-yloxyhexan-3-one
CID 106801966
[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
CID 58341019
6-(2-aminoethoxy)hexan-3-one
CID 158645779
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
[2-[4-[[1,5-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-1,5-dioxopentan-3-yl]amino]-4-oxobutoxy]-3-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59992628
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
CID 90904872
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] icosanoate
CID 131754071

Frequently Asked Questions

What is the IUPAC name of methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The IUPAC name of methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate (CID 158361308) is methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate.
What is the SMILES notation for methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The canonical SMILES for methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate is C.C.CCC(=O)CCCOC(COC(=O)NC)COC(=O)NC.
What is the InChIKey of methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The InChIKey is GTMRUKOGJFVNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6.2CH4/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3;;/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18);2*1H4.
What are the key properties of methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate has a molecular weight of 336.43 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate is sourced from PubChem (CID 158361308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).