[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide

C12H25N3O6 — CID 161009364

IUPAC[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
SMILESCCCOC(COC(=O)NC)COC(=O)NC.CNC=O
InChIInChI=1S/C10H20N2O5.C2H5NO/c1-4-5-15-8(6-16-9(13)11-2)7-17-10(14)12-3;1-3-2-4/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);2H,1H3,(H,3,4)
InChIKeyTWXUWDPECRVZKN-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.14
Rot. Bonds8

About [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide

[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide (PubChem CID 161009364) has the molecular formula C12H25N3O6 and a molecular weight of 307.35 g/mol. Its IUPAC name is [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide.

Molecular Properties

Compound Name[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
PubChem CID161009364
Molecular FormulaC12H25N3O6
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC Name[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
SMILESCCCOC(COC(=O)NC)COC(=O)NC.CNC=O
InChIInChI=1S/C10H20N2O5.C2H5NO/c1-4-5-15-8(6-16-9(13)11-2)7-17-10(14)12-3;1-3-2-4/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);2H,1H3,(H,3,4)
InChIKeyTWXUWDPECRVZKN-UHFFFAOYSA-N
XLogP-0.14
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
CID 158361308
ethane;propyl N-methylcarbamate
CID 142560404
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
CID 162133133
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
CID 90904872
(2,5-dioxopyrrolidin-1-yl) 4-[1,3-bis(methylcarbamoyloxy)propan-2-yloxy]-2-methylbutanoate
CID 88925927
2,3-dipropoxypropyl acetate;ethylphosphane;methane
CID 158965859
[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
CID 58341019
4-propoxyhexan-2-yl 2-formamidopropanoate
CID 146481405
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide?
The IUPAC name of [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide (CID 161009364) is [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide.
What is the SMILES notation for [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide?
The canonical SMILES for [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide is CCCOC(COC(=O)NC)COC(=O)NC.CNC=O.
What is the InChIKey of [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide?
The InChIKey is TWXUWDPECRVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5.C2H5NO/c1-4-5-15-8(6-16-9(13)11-2)7-17-10(14)12-3;1-3-2-4/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14);2H,1H3,(H,3,4).
What are the key properties of [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide?
[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide has a molecular weight of 307.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide is sourced from PubChem (CID 161009364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).