ethyl N-(ethoxymethoxymethyl)carbamate

C7H15NO4 — CID 121227516

IUPACethyl N-(ethoxymethoxymethyl)carbamate
SMILESCCOCOCNC(=O)OCC
InChIInChI=1S/C7H15NO4/c1-3-10-6-11-5-8-7(9)12-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyGBKLZZMSZJNDNK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.70
Rot. Bonds6

About ethyl N-(ethoxymethoxymethyl)carbamate

ethyl N-(ethoxymethoxymethyl)carbamate (PubChem CID 121227516) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl N-(ethoxymethoxymethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxymethoxymethyl)carbamate
PubChem CID121227516
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameethyl N-(ethoxymethoxymethyl)carbamate
SMILESCCOCOCNC(=O)OCC
InChIInChI=1S/C7H15NO4/c1-3-10-6-11-5-8-7(9)12-4-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyGBKLZZMSZJNDNK-UHFFFAOYSA-N
XLogP0.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxymethoxymethyl)carbamate?
The IUPAC name of ethyl N-(ethoxymethoxymethyl)carbamate (CID 121227516) is ethyl N-(ethoxymethoxymethyl)carbamate.
What is the SMILES notation for ethyl N-(ethoxymethoxymethyl)carbamate?
The canonical SMILES for ethyl N-(ethoxymethoxymethyl)carbamate is CCOCOCNC(=O)OCC.
What is the InChIKey of ethyl N-(ethoxymethoxymethyl)carbamate?
The InChIKey is GBKLZZMSZJNDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-3-10-6-11-5-8-7(9)12-4-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of ethyl N-(ethoxymethoxymethyl)carbamate?
ethyl N-(ethoxymethoxymethyl)carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxymethoxymethyl)carbamate is sourced from PubChem (CID 121227516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).