ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate

C8H16N2O5 — CID 71777323

IUPACethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
SMILESCCOC(=O)NCCONC(=O)OCC
InChIInChI=1S/C8H16N2O5/c1-3-13-7(11)9-5-6-15-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyLSRSANPCBIBVEN-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.41
Rot. Bonds6

About ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate

ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate (PubChem CID 71777323) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
PubChem CID71777323
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Nameethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
SMILESCCOC(=O)NCCONC(=O)OCC
InChIInChI=1S/C8H16N2O5/c1-3-13-7(11)9-5-6-15-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyLSRSANPCBIBVEN-UHFFFAOYSA-N
XLogP0.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-propylcarbamate
CID 12199
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
3-(ethoxycarbonylamino)propyl ethyl carbonate
CID 91713462
azane;ethyl N-ethylcarbamate
CID 88547448
2-(ethoxycarbonylamino)oxyacetic acid
CID 60661243
5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-but-3-ynylcarbamate
CID 22313149

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate?
The IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate (CID 71777323) is ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate is CCOC(=O)NCCONC(=O)OCC.
What is the InChIKey of ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate?
The InChIKey is LSRSANPCBIBVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-3-13-7(11)9-5-6-15-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate?
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate has a molecular weight of 220.22 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate is sourced from PubChem (CID 71777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).