3-ethoxypropyl 3-(3-aminophenoxy)propanoate

C14H21NO4 — CID 65181006

IUPAC3-ethoxypropyl 3-(3-aminophenoxy)propanoate
SMILESCCOCCCOC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21NO4/c1-2-17-8-4-9-19-14(16)7-10-18-13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10,15H2,1H3
InChIKeyWZXJZLZJJMWEDP-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.01
Rot. Bonds9

About 3-ethoxypropyl 3-(3-aminophenoxy)propanoate

3-ethoxypropyl 3-(3-aminophenoxy)propanoate (PubChem CID 65181006) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-ethoxypropyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name3-ethoxypropyl 3-(3-aminophenoxy)propanoate
PubChem CID65181006
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-ethoxypropyl 3-(3-aminophenoxy)propanoate
SMILESCCOCCCOC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21NO4/c1-2-17-8-4-9-19-14(16)7-10-18-13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10,15H2,1H3
InChIKeyWZXJZLZJJMWEDP-UHFFFAOYSA-N
XLogP2.01
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
3-(3-propoxypropoxy)aniline
CID 43247836
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
CID 61316761
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of 3-ethoxypropyl 3-(3-aminophenoxy)propanoate (CID 65181006) is 3-ethoxypropyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for 3-ethoxypropyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for 3-ethoxypropyl 3-(3-aminophenoxy)propanoate is CCOCCCOC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-ethoxypropyl 3-(3-aminophenoxy)propanoate?
The InChIKey is WZXJZLZJJMWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-17-8-4-9-19-14(16)7-10-18-13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10,15H2,1H3.
What are the key properties of 3-ethoxypropyl 3-(3-aminophenoxy)propanoate?
3-ethoxypropyl 3-(3-aminophenoxy)propanoate has a molecular weight of 267.32 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 65181006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).