ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate

C17H25NO6 — CID 59442440

IUPACethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCOC1CCCCO1
InChIInChI=1S/C17H25NO6/c1-2-20-16(19)12-24-15-11-13(18)6-7-14(15)21-9-10-23-17-5-3-4-8-22-17/h6-7,11,17H,2-5,8-10,12,18H2,1H3
InChIKeyIHBCBVPHASLABM-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.13
Rot. Bonds9

About ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate

ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate (PubChem CID 59442440) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
PubChem CID59442440
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Nameethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCOC1CCCCO1
InChIInChI=1S/C17H25NO6/c1-2-20-16(19)12-24-15-11-13(18)6-7-14(15)21-9-10-23-17-5-3-4-8-22-17/h6-7,11,17H,2-5,8-10,12,18H2,1H3
InChIKeyIHBCBVPHASLABM-UHFFFAOYSA-N
XLogP2.13
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
CID 59442324
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
ethyl 3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoate
CID 142646523
4-O-[6-[4-ethoxy-2-[6-(oxan-2-yloxy)hexoxycarbonyl]phenoxy]hexyl] 1-O-[6-(4-methylphenoxy)hexyl] butanedioate
CID 58019605
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 71216693
ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate
CID 59442420
2-[6-amino-1-[3-(oxan-2-yloxy)propyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137770
3,3-dimethyl-1-[2-methyl-4-[3-[3-methyl-4-[2-(oxan-2-yloxy)ethoxy]phenyl]pentan-3-yl]phenoxy]butan-2-ol
CID 10940205
2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 66600765
3-[4-[(2,6-difluorophenyl)methoxy]-3-[3-(oxan-2-yloxy)propoxy]phenyl]but-2-enamide
CID 70247952
ethyl 2-[2-(oxolan-2-yl)phenoxy]acetate
CID 118270818
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate?
The IUPAC name of ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate (CID 59442440) is ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate is CCOC(=O)COc1cc(N)ccc1OCCOC1CCCCO1.
What is the InChIKey of ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate?
The InChIKey is IHBCBVPHASLABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO6/c1-2-20-16(19)12-24-15-11-13(18)6-7-14(15)21-9-10-23-17-5-3-4-8-22-17/h6-7,11,17H,2-5,8-10,12,18H2,1H3.
What are the key properties of ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate?
ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate has a molecular weight of 339.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-2-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate is sourced from PubChem (CID 59442440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).