ethyl N-(2,2-dimethoxyethyl)carbamate

C7H15NO4 — CID 10921057

IUPACethyl N-(2,2-dimethoxyethyl)carbamate
SMILESCCOC(=O)NCC(OC)OC
InChIInChI=1S/C7H15NO4/c1-4-12-7(9)8-5-6(10-2)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyLBLQPBVEGKLIEU-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.35
Rot. Bonds5

About ethyl N-(2,2-dimethoxyethyl)carbamate

ethyl N-(2,2-dimethoxyethyl)carbamate (PubChem CID 10921057) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl N-(2,2-dimethoxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,2-dimethoxyethyl)carbamate
PubChem CID10921057
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameethyl N-(2,2-dimethoxyethyl)carbamate
SMILESCCOC(=O)NCC(OC)OC
InChIInChI=1S/C7H15NO4/c1-4-12-7(9)8-5-6(10-2)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyLBLQPBVEGKLIEU-UHFFFAOYSA-N
XLogP0.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2,2-dimethoxyethyl)carbamate?
The IUPAC name of ethyl N-(2,2-dimethoxyethyl)carbamate (CID 10921057) is ethyl N-(2,2-dimethoxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2,2-dimethoxyethyl)carbamate?
The canonical SMILES for ethyl N-(2,2-dimethoxyethyl)carbamate is CCOC(=O)NCC(OC)OC.
What is the InChIKey of ethyl N-(2,2-dimethoxyethyl)carbamate?
The InChIKey is LBLQPBVEGKLIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-4-12-7(9)8-5-6(10-2)11-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of ethyl N-(2,2-dimethoxyethyl)carbamate?
ethyl N-(2,2-dimethoxyethyl)carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,2-dimethoxyethyl)carbamate is sourced from PubChem (CID 10921057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).