2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate

C9H17N2O4- — CID 91490198

IUPAC2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
SMILES[CH2-]CC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C9H17N2O4/c1-4-7(5-14-8(12)10-2)6-15-9(13)11-3/h7H,1,4-6H2,2-3H3,(H,10,12)(H,11,13)/q-1
InChIKeyAWIIMEYWKMNTBU-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.54
Rot. Bonds5

About 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate

2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate (PubChem CID 91490198) has the molecular formula C9H17N2O4- and a molecular weight of 217.24 g/mol. Its IUPAC name is 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate.

Molecular Properties

Compound Name2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
PubChem CID91490198
Molecular FormulaC9H17N2O4-
Molecular Weight217.24 g/mol
Exact Mass217.12
IUPAC Name2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
SMILES[CH2-]CC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C9H17N2O4/c1-4-7(5-14-8(12)10-2)6-15-9(13)11-3/h7H,1,4-6H2,2-3H3,(H,10,12)(H,11,13)/q-1
InChIKeyAWIIMEYWKMNTBU-UHFFFAOYSA-N
XLogP0.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate
CID 91246070
methyl 5-methyl-3-(methylcarbamoyloxymethyl)hexanoate
CID 140532991
2-(methylcarbamoyloxy)propyl N-methylcarbamate
CID 129287341
2,5-dimethylhexyl N-methylcarbamate
CID 175403789
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764
(3-carbamoyloxy-2-methoxypropyl) N-methylcarbamate
CID 90904872
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
iodomethyl N-methylcarbamate
CID 88927146
[3-ethoxy-2-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 59021341
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
ethyl N-methylcarbamate;formaldehyde
CID 160650405

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate?
The IUPAC name of 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate (CID 91490198) is 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate.
What is the SMILES notation for 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate?
The canonical SMILES for 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate is [CH2-]CC(COC(=O)NC)COC(=O)NC.
What is the InChIKey of 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate?
The InChIKey is AWIIMEYWKMNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O4/c1-4-7(5-14-8(12)10-2)6-15-9(13)11-3/h7H,1,4-6H2,2-3H3,(H,10,12)(H,11,13)/q-1.
What are the key properties of 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate?
2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate has a molecular weight of 217.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyloxymethyl)butyl N-methylcarbamate is sourced from PubChem (CID 91490198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).