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

C12H18N2O3 — CID 56965536

IUPACbenzyl N-[2-(2-aminoethoxy)ethyl]carbamate
SMILESNCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyDBYGAXCTXPTEJV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.89
Rot. Bonds7

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

benzyl N-[2-(2-aminoethoxy)ethyl]carbamate (PubChem CID 56965536) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is benzyl N-[2-(2-aminoethoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-aminoethoxy)ethyl]carbamate
PubChem CID56965536
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namebenzyl N-[2-(2-aminoethoxy)ethyl]carbamate
SMILESNCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyDBYGAXCTXPTEJV-UHFFFAOYSA-N
XLogP0.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-aminoethoxy)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-aminoethoxy)ethyl]carbamate (CID 56965536) is benzyl N-[2-(2-aminoethoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-aminoethoxy)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-aminoethoxy)ethyl]carbamate is NCCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-aminoethoxy)ethyl]carbamate?
The InChIKey is DBYGAXCTXPTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-6-8-16-9-7-14-12(15)17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15).
What are the key properties of benzyl N-[2-(2-aminoethoxy)ethyl]carbamate?
benzyl N-[2-(2-aminoethoxy)ethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-aminoethoxy)ethyl]carbamate is sourced from PubChem (CID 56965536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).