ethyl N-methoxy-N-(2-methoxyethyl)carbamate

C7H15NO4 — CID 45122902

IUPACethyl N-methoxy-N-(2-methoxyethyl)carbamate
SMILESCCOC(=O)N(CCOC)OC
InChIInChI=1S/C7H15NO4/c1-4-12-7(9)8(11-3)5-6-10-2/h4-6H2,1-3H3
InChIKeyODEQEBJIMJASNX-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.65
Rot. Bonds5

About ethyl N-methoxy-N-(2-methoxyethyl)carbamate

ethyl N-methoxy-N-(2-methoxyethyl)carbamate (PubChem CID 45122902) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl N-methoxy-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-methoxy-N-(2-methoxyethyl)carbamate
PubChem CID45122902
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameethyl N-methoxy-N-(2-methoxyethyl)carbamate
SMILESCCOC(=O)N(CCOC)OC
InChIInChI=1S/C7H15NO4/c1-4-12-7(9)8(11-3)5-6-10-2/h4-6H2,1-3H3
InChIKeyODEQEBJIMJASNX-UHFFFAOYSA-N
XLogP0.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-(2-methoxyethyl)-N-piperidin-4-ylcarbamate
CID 156856713
1,2-dimethoxyethane;ethyl acetate
CID 87198031
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl N,N-diaminocarbamate
CID 54365685
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449

Frequently Asked Questions

What is the IUPAC name of ethyl N-methoxy-N-(2-methoxyethyl)carbamate?
The IUPAC name of ethyl N-methoxy-N-(2-methoxyethyl)carbamate (CID 45122902) is ethyl N-methoxy-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for ethyl N-methoxy-N-(2-methoxyethyl)carbamate?
The canonical SMILES for ethyl N-methoxy-N-(2-methoxyethyl)carbamate is CCOC(=O)N(CCOC)OC.
What is the InChIKey of ethyl N-methoxy-N-(2-methoxyethyl)carbamate?
The InChIKey is ODEQEBJIMJASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-4-12-7(9)8(11-3)5-6-10-2/h4-6H2,1-3H3.
What are the key properties of ethyl N-methoxy-N-(2-methoxyethyl)carbamate?
ethyl N-methoxy-N-(2-methoxyethyl)carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methoxy-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 45122902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).