[4-[2-(diethylamino)ethoxy]phenyl] propanoate

C15H23NO3 — CID 90991611

IUPAC[4-[2-(diethylamino)ethoxy]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(17)19-14-9-7-13(8-10-14)18-12-11-16(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyAILTYQXTUOWSOA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.72
Rot. Bonds8

About [4-[2-(diethylamino)ethoxy]phenyl] propanoate

[4-[2-(diethylamino)ethoxy]phenyl] propanoate (PubChem CID 90991611) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]phenyl] propanoate.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]phenyl] propanoate
PubChem CID90991611
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[4-[2-(diethylamino)ethoxy]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(17)19-14-9-7-13(8-10-14)18-12-11-16(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyAILTYQXTUOWSOA-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
[4-[(E)-2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]prop-1-enyl]phenyl] butanoate
CID 155808930
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
4-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenoxy]but-3-en-2-one
CID 54410104
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl] propanoate?
The IUPAC name of [4-[2-(diethylamino)ethoxy]phenyl] propanoate (CID 90991611) is [4-[2-(diethylamino)ethoxy]phenyl] propanoate.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]phenyl] propanoate?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]phenyl] propanoate is CCC(=O)Oc1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]phenyl] propanoate?
The InChIKey is AILTYQXTUOWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(17)19-14-9-7-13(8-10-14)18-12-11-16(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]phenyl] propanoate?
[4-[2-(diethylamino)ethoxy]phenyl] propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]phenyl] propanoate is sourced from PubChem (CID 90991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).