3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate

C15H23NO4 — CID 103403075

IUPAC3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
SMILESCOCCOCCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23NO4/c1-18-11-12-19-9-2-10-20-15(17)8-5-13-3-6-14(16)7-4-13/h3-4,6-7H,2,5,8-12,16H2,1H3
InChIKeyVEVTUUMKXSTETL-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.80
Rot. Bonds10

About 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate

3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate (PubChem CID 103403075) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
PubChem CID103403075
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate
SMILESCOCCOCCCOC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H23NO4/c1-18-11-12-19-9-2-10-20-15(17)8-5-13-3-6-14(16)7-4-13/h3-4,6-7H,2,5,8-12,16H2,1H3
InChIKeyVEVTUUMKXSTETL-UHFFFAOYSA-N
XLogP1.80
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
2-(2-hydroxyethoxy)ethyl 3-(4-aminophenyl)propanoate
CID 61316404
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
3-(2-methoxyethoxy)propyl 3-(2-aminophenyl)propanoate
CID 107273933
3-ethylsulfonylpropyl 3-(4-aminophenyl)propanoate
CID 65095377
3-methoxypropyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65397522
butyl 4-(4-aminophenyl)butanoate
CID 89374601
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
[3-(dimethylamino)-3-oxopropyl] 3-(4-aminophenyl)propanoate
CID 61316212
4-O-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl] 1-O-(3-phenylmethoxypropyl) butanedioate
CID 88976024

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate (CID 103403075) is 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate is COCCOCCCOC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate?
The InChIKey is VEVTUUMKXSTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-11-12-19-9-2-10-20-15(17)8-5-13-3-6-14(16)7-4-13/h3-4,6-7H,2,5,8-12,16H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate?
3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 103403075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).