[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

C14H26N2O4 — CID 59561765

IUPAC[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESC/C=C\C(=C/C)COC(=O)NCCOCCOCCN
InChIInChI=1S/C14H26N2O4/c1-3-5-13(4-2)12-20-14(17)16-7-9-19-11-10-18-8-6-15/h3-5H,6-12,15H2,1-2H3,(H,16,17)/b5-3-,13-4+
InChIKeyGBYONISRKMIRTJ-OHOMROLUSA-N
MW286.37 g/mol
LogP1.23
Rot. Bonds11

About [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (PubChem CID 59561765) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
PubChem CID59561765
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESC/C=C\C(=C/C)COC(=O)NCCOCCOCCN
InChIInChI=1S/C14H26N2O4/c1-3-5-13(4-2)12-20-14(17)16-7-9-19-11-10-18-8-6-15/h3-5H,6-12,15H2,1-2H3,(H,16,17)/b5-3-,13-4+
InChIKeyGBYONISRKMIRTJ-OHOMROLUSA-N
XLogP1.23
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (CID 59561765) is [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is C/C=C\C(=C/C)COC(=O)NCCOCCOCCN.
What is the InChIKey of [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is GBYONISRKMIRTJ-OHOMROLUSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-13(4-2)12-20-14(17)16-7-9-19-11-10-18-8-6-15/h3-5H,6-12,15H2,1-2H3,(H,16,17)/b5-3-,13-4+.
What are the key properties of [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
[(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2E)-2-ethylidenepent-3-enyl] N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 59561765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).