2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate

C15H23NO5 — CID 104563048

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
SMILESCOCCOCCOCCOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23NO5/c1-18-6-7-19-8-9-20-10-11-21-15(17)12-13-2-4-14(16)5-3-13/h2-5H,6-12,16H2,1H3
InChIKeyXJVAEKCEYDHKLY-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.03
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate (PubChem CID 104563048) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
PubChem CID104563048
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
SMILESCOCCOCCOCCOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H23NO5/c1-18-6-7-19-8-9-20-10-11-21-15(17)12-13-2-4-14(16)5-3-13/h2-5H,6-12,16H2,1H3
InChIKeyXJVAEKCEYDHKLY-UHFFFAOYSA-N
XLogP1.03
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-[2-(4-aminophenyl)acetyl]oxyethoxy]-2,2-bis[2-[2-(4-aminophenyl)acetyl]oxyethoxymethyl]propoxy]ethyl 2-(4-aminophenyl)acetate
CID 59273590
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
CID 103403075
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
amino 2-(4-aminophenyl)acetate
CID 66872043
2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
3-methoxypropyl 2-(4-sulfanylphenyl)acetate
CID 107018241
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate (CID 104563048) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate is COCCOCCOCCOC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate?
The InChIKey is XJVAEKCEYDHKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-6-7-19-8-9-20-10-11-21-15(17)12-13-2-4-14(16)5-3-13/h2-5H,6-12,16H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate has a molecular weight of 297.35 g/mol, XLogP of 1.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 104563048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).