ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate

C16H32N2O6 — CID 158569207

IUPACethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.CCNC(=O)OCCOCCC(C)C(C)=O
InChIInChI=1S/C11H21NO4.C5H11NO2/c1-4-12-11(14)16-8-7-15-6-5-9(2)10(3)13;1-3-6-5(7)8-4-2/h9H,4-8H2,1-3H3,(H,12,14);3-4H2,1-2H3,(H,6,7)
InChIKeyHRWHJJGNSGGWCJ-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.12
Rot. Bonds10

About ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate

ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate (PubChem CID 158569207) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
PubChem CID158569207
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Nameethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.CCNC(=O)OCCOCCC(C)C(C)=O
InChIInChI=1S/C11H21NO4.C5H11NO2/c1-4-12-11(14)16-8-7-15-6-5-9(2)10(3)13;1-3-6-5(7)8-4-2/h9H,4-8H2,1-3H3,(H,12,14);3-4H2,1-2H3,(H,6,7)
InChIKeyHRWHJJGNSGGWCJ-UHFFFAOYSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate?
The IUPAC name of ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate (CID 158569207) is ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate.
What is the SMILES notation for ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate?
The canonical SMILES for ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate is CCNC(=O)OCC.CCNC(=O)OCCOCCC(C)C(C)=O.
What is the InChIKey of ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate?
The InChIKey is HRWHJJGNSGGWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4.C5H11NO2/c1-4-12-11(14)16-8-7-15-6-5-9(2)10(3)13;1-3-6-5(7)8-4-2/h9H,4-8H2,1-3H3,(H,12,14);3-4H2,1-2H3,(H,6,7).
What are the key properties of ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate?
ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate has a molecular weight of 348.44 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylcarbamate;2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate is sourced from PubChem (CID 158569207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).