ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate

C10H16N2O4 — CID 57086784

IUPACethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
SMILESCCOC(=O)N=CCCC=NC(=O)OCC
InChIInChI=1S/C10H16N2O4/c1-3-15-9(13)11-7-5-6-8-12-10(14)16-4-2/h7-8H,3-6H2,1-2H3
InChIKeyPAYUGLUDTUAWIK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.22
Rot. Bonds5

About ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate

ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate (PubChem CID 57086784) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
PubChem CID57086784
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
SMILESCCOC(=O)N=CCCC=NC(=O)OCC
InChIInChI=1S/C10H16N2O4/c1-3-15-9(13)11-7-5-6-8-12-10(14)16-4-2/h7-8H,3-6H2,1-2H3
InChIKeyPAYUGLUDTUAWIK-UHFFFAOYSA-N
XLogP2.22
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glyoxal, bis(ethoxycarbonylamido-
CID 9576729
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
ethyl N-(2-cyanoethylidene)carbamate
CID 90733859
ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 134972749
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
ethyl N-(2-methylbutylidene)carbamate
CID 56637023
ethyl N-(4-ethoxybutylidene)carbamate
CID 76540859
6-(ethylidenecarbamoyloxy)hexyl N-ethylidenecarbamate
CID 90871471
2-[2-(ethylidenecarbamoyloxy)ethoxy]ethyl N-ethylidenecarbamate
CID 91083408
3-Methyliminopropyl carbamate
CID 142872517

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate?
The IUPAC name of ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate (CID 57086784) is ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate.
What is the SMILES notation for ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate?
The canonical SMILES for ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate is CCOC(=O)N=CCCC=NC(=O)OCC.
What is the InChIKey of ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate?
The InChIKey is PAYUGLUDTUAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-15-9(13)11-7-5-6-8-12-10(14)16-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate?
ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate has a molecular weight of 228.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate is sourced from PubChem (CID 57086784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).