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

C8H16N2O4 — CID 10880

IUPACethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)OCC
InChIInChI=1S/C8H16N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySDNZFSXPFLVPMI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.48
Rot. Bonds5

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

ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate (PubChem CID 10880) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate
PubChem CID10880
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)OCC
InChIInChI=1S/C8H16N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySDNZFSXPFLVPMI-UHFFFAOYSA-N
XLogP0.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(ethoxycarbonylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate (CID 10880) is ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate is CCOC(=O)NCCNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate?
The InChIKey is SDNZFSXPFLVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate?
ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate has a molecular weight of 204.23 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate is sourced from PubChem (CID 10880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).