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

C14H22N2O5 — CID 178184257

IUPACbenzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
SMILESNOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O5/c15-21-11-10-19-9-8-18-7-6-16-14(17)20-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,17)
InChIKeyVSIUFOYATBMPFM-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.84
Rot. Bonds11

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

benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate (PubChem CID 178184257) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
PubChem CID178184257
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namebenzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
SMILESNOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O5/c15-21-11-10-19-9-8-18-7-6-16-14(17)20-12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,17)
InChIKeyVSIUFOYATBMPFM-UHFFFAOYSA-N
XLogP0.84
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
CID 89049973
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride
CID 165436022
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
tert-butyl 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate
CID 11325667
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl 4-methylbenzenesulfonate
CID 118796849
ethyl (E)-4-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
CID 168818022
benzyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563898

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate (CID 178184257) is benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate is NOCCOCCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate?
The InChIKey is VSIUFOYATBMPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c15-21-11-10-19-9-8-18-7-6-16-14(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-aminooxyethoxy)ethoxy]ethyl]carbamate?
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 0.84, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 178184257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).