(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate

C7H14N2O5 — CID 90904872

IUPAC(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
SMILESCNC(=O)OCC(COC(N)=O)OC
InChIInChI=1S/C7H14N2O5/c1-9-7(11)14-4-5(12-2)3-13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeySBTQUFNNYDMETD-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.55
Rot. Bonds5

About (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate

(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate (PubChem CID 90904872) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
PubChem CID90904872
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
SMILESCNC(=O)OCC(COC(N)=O)OC
InChIInChI=1S/C7H14N2O5/c1-9-7(11)14-4-5(12-2)3-13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeySBTQUFNNYDMETD-UHFFFAOYSA-N
XLogP-0.55
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
CID 157151127
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91490198
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
CID 58805091
2,5-dimethylhexyl N-methylcarbamate
CID 175403789
[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
CID 161009364
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)butyl] N-methylcarbamate;ethane
CID 171636121
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
CID 158361308

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate?
The IUPAC name of (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate (CID 90904872) is (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate.
What is the SMILES notation for (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate?
The canonical SMILES for (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate is CNC(=O)OCC(COC(N)=O)OC.
What is the InChIKey of (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate?
The InChIKey is SBTQUFNNYDMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-9-7(11)14-4-5(12-2)3-13-6(8)10/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate?
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate has a molecular weight of 206.20 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate is sourced from PubChem (CID 90904872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).