ethyl N-methoxy-N-methylcarbamate

C5H11NO3 — CID 533715

IUPACethyl N-methoxy-N-methylcarbamate
SMILESCCOC(=O)N(C)OC
InChIInChI=1S/C5H11NO3/c1-4-9-5(7)6(2)8-3/h4H2,1-3H3
InChIKeyQKKFTUDASIMWMP-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.64
Rot. Bonds2

About ethyl N-methoxy-N-methylcarbamate

ethyl N-methoxy-N-methylcarbamate (PubChem CID 533715) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is ethyl N-methoxy-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-methoxy-N-methylcarbamate
PubChem CID533715
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameethyl N-methoxy-N-methylcarbamate
SMILESCCOC(=O)N(C)OC
InChIInChI=1S/C5H11NO3/c1-4-9-5(7)6(2)8-3/h4H2,1-3H3
InChIKeyQKKFTUDASIMWMP-UHFFFAOYSA-N
XLogP0.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Carbamic acid, N-hydroxy-N-methyl-, propyl ester
CID 80187
ethyl N-fluoro-N-methylcarbamate
CID 23235956
2,2,2-Trifluoroethyl methoxy(methyl)carbamate
CID 65168309
2-fluoroethyl N-methoxy-N-methylcarbamate
CID 87169676
ethyl N-hydroxy-N-methylcarbamate
CID 335790
[Ethoxycarbonyl(methyl)amino] ethyl carbonate
CID 335791
ethyl N-ethoxy-N-ethylcarbamate
CID 54023757
CID 134952189
CID 134952189
ethyl N-chloro-N-methylcarbamate
CID 12365402
Propyl dimethylcarbamate
CID 13244991
ethyl N-ethoxy-N-methylcarbamate
CID 14895675

Frequently Asked Questions

What is the IUPAC name of ethyl N-methoxy-N-methylcarbamate?
The IUPAC name of ethyl N-methoxy-N-methylcarbamate (CID 533715) is ethyl N-methoxy-N-methylcarbamate.
What is the SMILES notation for ethyl N-methoxy-N-methylcarbamate?
The canonical SMILES for ethyl N-methoxy-N-methylcarbamate is CCOC(=O)N(C)OC.
What is the InChIKey of ethyl N-methoxy-N-methylcarbamate?
The InChIKey is QKKFTUDASIMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4-9-5(7)6(2)8-3/h4H2,1-3H3.
What are the key properties of ethyl N-methoxy-N-methylcarbamate?
ethyl N-methoxy-N-methylcarbamate has a molecular weight of 133.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methoxy-N-methylcarbamate is sourced from PubChem (CID 533715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).