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

C8H14N2O4 — CID 91598315

IUPACethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate
SMILESCCOC(=O)N=CCNC(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyIKMUIXPIXVPDNE-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.96
Rot. Bonds4

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

ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate (PubChem CID 91598315) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate
PubChem CID91598315
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate
SMILESCCOC(=O)N=CCNC(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5H,3-4,6H2,1-2H3,(H,10,12)
InChIKeyIKMUIXPIXVPDNE-UHFFFAOYSA-N
XLogP0.96
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

ethyl N-(2-hydroxyethylidene)carbamate
CID 173009776
ethyl N-(3-hydroxypropylidene)carbamate
CID 173139500
azane;ethyl N-ethylcarbamate
CID 88547448
methyl 2-ethoxycarbonyliminoacetate;hydrochloride
CID 88802258
ethyl N-propylcarbamate
CID 12199
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl N-but-2-enylidenecarbamate
CID 123386584
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
CID 175796855
CID 175796855
ethyl (NZ)-N-[amino(methoxy)methylidene]carbamate
CID 22756468

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate?
The IUPAC name of ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate (CID 91598315) is ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate.
What is the SMILES notation for ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate?
The canonical SMILES for ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate is CCOC(=O)N=CCNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate?
The InChIKey is IKMUIXPIXVPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5H,3-4,6H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate?
ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate has a molecular weight of 202.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(ethoxycarbonylamino)ethylidene]carbamate is sourced from PubChem (CID 91598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).