ethyl N-(2-methoxyethyl)carbamate

C6H13NO3 — CID 3281290

IUPACethyl N-(2-methoxyethyl)carbamate
SMILESCCOC(=O)NCCOC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)7-4-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyYPPVLWVYJSVLHI-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.38
Rot. Bonds4

About ethyl N-(2-methoxyethyl)carbamate

ethyl N-(2-methoxyethyl)carbamate (PubChem CID 3281290) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methoxyethyl)carbamate
PubChem CID3281290
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl N-(2-methoxyethyl)carbamate
SMILESCCOC(=O)NCCOC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)7-4-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyYPPVLWVYJSVLHI-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methoxyethyl)carbamate?
The IUPAC name of ethyl N-(2-methoxyethyl)carbamate (CID 3281290) is ethyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for ethyl N-(2-methoxyethyl)carbamate is CCOC(=O)NCCOC.
What is the InChIKey of ethyl N-(2-methoxyethyl)carbamate?
The InChIKey is YPPVLWVYJSVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-10-6(8)7-4-5-9-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of ethyl N-(2-methoxyethyl)carbamate?
ethyl N-(2-methoxyethyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 3281290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).