methyl N-ethyl-N-methoxycarbamate

C5H11NO3 — CID 142794399

IUPACmethyl N-ethyl-N-methoxycarbamate
SMILESCCN(OC)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-4-6(9-3)5(7)8-2/h4H2,1-3H3
InChIKeyKYLGQLVUTRMBIO-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.64
Rot. Bonds2

About methyl N-ethyl-N-methoxycarbamate

methyl N-ethyl-N-methoxycarbamate (PubChem CID 142794399) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl N-ethyl-N-methoxycarbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-methoxycarbamate
PubChem CID142794399
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl N-ethyl-N-methoxycarbamate
SMILESCCN(OC)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-4-6(9-3)5(7)8-2/h4H2,1-3H3
InChIKeyKYLGQLVUTRMBIO-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'}

Analyze methyl N-ethyl-N-methoxycarbamate 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

amino N-ethyl-N-methoxycarbamate
CID 91118024
ethyl(methoxy)carbamic acid
CID 20532492
ethyl(methoxy)carbamothioic S-acid
CID 148919779
[ethyl(methoxycarbonyl)amino] prop-2-enoate
CID 174452943
methyl N-chloro-N-ethylcarbamate
CID 21281537
1,3-diethyl-1-methoxythiourea
CID 130891850
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669
ethyl N-methoxy-N-(2-methoxyethyl)carbamate
CID 45122902
methyl N-butyl-N-hydroxycarbamate
CID 87729012
methyl N-(3-chloro-2-oxopropyl)-N-ethylcarbamate
CID 104701100
N-methoxy-N-methylpropanamide
CID 11344007
methyl N-ethyl-N-[2-(methoxycarbonylamino)ethyl]carbamate
CID 141246578

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-methoxycarbamate?
The IUPAC name of methyl N-ethyl-N-methoxycarbamate (CID 142794399) is methyl N-ethyl-N-methoxycarbamate.
What is the SMILES notation for methyl N-ethyl-N-methoxycarbamate?
The canonical SMILES for methyl N-ethyl-N-methoxycarbamate is CCN(OC)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-methoxycarbamate?
The InChIKey is KYLGQLVUTRMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4-6(9-3)5(7)8-2/h4H2,1-3H3.
What are the key properties of methyl N-ethyl-N-methoxycarbamate?
methyl N-ethyl-N-methoxycarbamate 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 methyl N-ethyl-N-methoxycarbamate is sourced from PubChem (CID 142794399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).