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

C8H14N2O4 — CID 3429923

IUPACethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate
SMILESCCOC(=O)NC=CNC(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyWFIOSXFOWQWKGH-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.95
Rot. Bonds4

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

ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate (PubChem CID 3429923) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate
PubChem CID3429923
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate
SMILESCCOC(=O)NC=CNC(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyWFIOSXFOWQWKGH-UHFFFAOYSA-N
XLogP0.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate?
The IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate (CID 3429923) is ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate is CCOC(=O)NC=CNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate?
The InChIKey is WFIOSXFOWQWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate?
ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate has a molecular weight of 202.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxycarbonylamino)ethenyl]carbamate is sourced from PubChem (CID 3429923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).