ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate

C19H23NO6 — CID 59442207

IUPACethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCOc1ccc(OC)cc1
InChIInChI=1S/C19H23NO6/c1-3-23-19(21)13-26-18-12-14(20)4-9-17(18)25-11-10-24-16-7-5-15(22-2)6-8-16/h4-9,12H,3,10-11,13,20H2,1-2H3
InChIKeyWIEBCGHAJQUKHS-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.68
Rot. Bonds10

About ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate

ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate (PubChem CID 59442207) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
PubChem CID59442207
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Nameethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N)ccc1OCCOc1ccc(OC)cc1
InChIInChI=1S/C19H23NO6/c1-3-23-19(21)13-26-18-12-14(20)4-9-17(18)25-11-10-24-16-7-5-15(22-2)6-8-16/h4-9,12H,3,10-11,13,20H2,1-2H3
InChIKeyWIEBCGHAJQUKHS-UHFFFAOYSA-N
XLogP2.68
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.68
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-[2-(oxan-2-yloxy)ethoxy]phenoxy]acetate
CID 59442440
ethyl 2-[5-amino-2-[2-(1,3-thiazol-2-ylamino)ethoxy]phenoxy]acetate
CID 59442420
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
CID 59442324
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate?
The IUPAC name of ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate (CID 59442207) is ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate is CCOC(=O)COc1cc(N)ccc1OCCOc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate?
The InChIKey is WIEBCGHAJQUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-3-23-19(21)13-26-18-12-14(20)4-9-17(18)25-11-10-24-16-7-5-15(22-2)6-8-16/h4-9,12H,3,10-11,13,20H2,1-2H3.
What are the key properties of ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate?
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate has a molecular weight of 361.39 g/mol, XLogP of 2.68, 10 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-(4-methoxyphenoxy)ethoxy]phenoxy]acetate is sourced from PubChem (CID 59442207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).