benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

C14H22N2O4 — CID 23544777

IUPACbenzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESNCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O4/c15-6-8-18-10-11-19-9-7-16-14(17)20-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,17)
InChIKeyRPEJOLSCRIIGNT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.90
Rot. Bonds10

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

benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (PubChem CID 23544777) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
PubChem CID23544777
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namebenzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
SMILESNCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O4/c15-6-8-18-10-11-19-9-7-16-14(17)20-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,17)
InChIKeyRPEJOLSCRIIGNT-UHFFFAOYSA-N
XLogP0.90
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate (CID 23544777) is benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is NCCOCCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is RPEJOLSCRIIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c15-6-8-18-10-11-19-9-7-16-14(17)20-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,17).
What are the key properties of benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate?
benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 23544777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).