benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate

C15H23NO5 — CID 11460698

IUPACbenzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
SMILESO=C(CNCCOCCOCCO)OCc1ccccc1
InChIInChI=1S/C15H23NO5/c17-7-9-20-11-10-19-8-6-16-12-15(18)21-13-14-4-2-1-3-5-14/h1-5,16-17H,6-13H2
InChIKeyGDRISQZEMNUFAZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.34
Rot. Bonds12

About benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate

benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate (PubChem CID 11460698) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
PubChem CID11460698
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namebenzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
SMILESO=C(CNCCOCCOCCO)OCc1ccccc1
InChIInChI=1S/C15H23NO5/c17-7-9-20-11-10-19-8-6-16-12-15(18)21-13-14-4-2-1-3-5-14/h1-5,16-17H,6-13H2
InChIKeyGDRISQZEMNUFAZ-UHFFFAOYSA-N
XLogP0.34
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
CID 118525620
2-[2-(2-hydroxyethoxy)ethylamino]-1-phenylethanone
CID 118894768
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-(phenylmethoxyamino)ethoxy]ethanol
CID 64974239
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid
CID 166706316
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
benzyl 2-chloroacetate
CID 8786

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate?
The IUPAC name of benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate (CID 11460698) is benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate.
What is the SMILES notation for benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate?
The canonical SMILES for benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate is O=C(CNCCOCCOCCO)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate?
The InChIKey is GDRISQZEMNUFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c17-7-9-20-11-10-19-8-6-16-12-15(18)21-13-14-4-2-1-3-5-14/h1-5,16-17H,6-13H2.
What are the key properties of benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate?
benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate has a molecular weight of 297.35 g/mol, XLogP of 0.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate is sourced from PubChem (CID 11460698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).