prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

C10H20N2O4 — CID 11345292

IUPACprop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESC=CCOC(=O)NCCOCCOCCN
InChIInChI=1S/C10H20N2O4/c1-2-5-16-10(13)12-4-7-15-9-8-14-6-3-11/h2H,1,3-9,11H2,(H,12,13)
InChIKeyVTKSTRDPPUHDBJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.11
Rot. Bonds10

About prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (PubChem CID 11345292) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
PubChem CID11345292
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameprop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESC=CCOC(=O)NCCOCCOCCN
InChIInChI=1S/C10H20N2O4/c1-2-5-16-10(13)12-4-7-15-9-8-14-6-3-11/h2H,1,3-9,11H2,(H,12,13)
InChIKeyVTKSTRDPPUHDBJ-UHFFFAOYSA-N
XLogP-0.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (CID 11345292) is prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is C=CCOC(=O)NCCOCCOCCN.
What is the InChIKey of prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is VTKSTRDPPUHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-2-5-16-10(13)12-4-7-15-9-8-14-6-3-11/h2H,1,3-9,11H2,(H,12,13).
What are the key properties of prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of -0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 11345292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).