[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate

C9H18N2O5 — CID 59021341

IUPAC[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
SMILESCCOCC(COC(=O)NC)OC(=O)NC
InChIInChI=1S/C9H18N2O5/c1-4-14-5-7(16-9(13)11-3)6-15-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyCSIGZHHUPWQTQV-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.10
Rot. Bonds6

About [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate

[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate (PubChem CID 59021341) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
PubChem CID59021341
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
SMILESCCOCC(COC(=O)NC)OC(=O)NC
InChIInChI=1S/C9H18N2O5/c1-4-14-5-7(16-9(13)11-3)6-15-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyCSIGZHHUPWQTQV-UHFFFAOYSA-N
XLogP0.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
CID 59499826
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
CID 90904872
ethyl N-methylcarbamate;formaldehyde
CID 160650405
[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
CID 161009364
[(2S)-3-hydroxy-2-(methylcarbamoyloxy)propyl] cyanoformate
CID 155110126
[3-methoxy-2-(methylcarbamoyloxy)propyl] formate
CID 143975319
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91490198
methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
CID 158361308
3-[2-[2-[2-[[2-amino-3-[2,3-bis(methylcarbamoyloxy)propylsulfanyl]propanoyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123643794
(1-amino-4,4-dimethylpentan-2-yl) N-methylcarbamate
CID 130454785

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate?
The IUPAC name of [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate (CID 59021341) is [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate.
What is the SMILES notation for [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate?
The canonical SMILES for [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate is CCOCC(COC(=O)NC)OC(=O)NC.
What is the InChIKey of [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate?
The InChIKey is CSIGZHHUPWQTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-4-14-5-7(16-9(13)11-3)6-15-8(12)10-2/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate?
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate has a molecular weight of 234.25 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate is sourced from PubChem (CID 59021341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).