ethyl 3-[3-(diethylamino)phenoxy]propanoate

C15H23NO3 — CID 43517017

IUPACethyl 3-[3-(diethylamino)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)13-8-7-9-14(12-13)19-11-10-15(17)18-6-3/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyNNBAPODOINYESK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.86
Rot. Bonds8

About ethyl 3-[3-(diethylamino)phenoxy]propanoate

ethyl 3-[3-(diethylamino)phenoxy]propanoate (PubChem CID 43517017) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-[3-(diethylamino)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(diethylamino)phenoxy]propanoate
PubChem CID43517017
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-[3-(diethylamino)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(N(CC)CC)c1
InChIInChI=1S/C15H23NO3/c1-4-16(5-2)13-8-7-9-14(12-13)19-11-10-15(17)18-6-3/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyNNBAPODOINYESK-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
N-[3-(2-aminoethoxy)phenyl]-N-methylbutanamide
CID 28755982
N,N-diethyl-3-[3-(methylamino)propoxy]aniline
CID 62584152
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
3-(5-deuteriopentoxy)-N,N-diethylaniline
CID 163281862
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(diethylamino)phenoxy]propanoate?
The IUPAC name of ethyl 3-[3-(diethylamino)phenoxy]propanoate (CID 43517017) is ethyl 3-[3-(diethylamino)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[3-(diethylamino)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[3-(diethylamino)phenoxy]propanoate is CCOC(=O)CCOc1cccc(N(CC)CC)c1.
What is the InChIKey of ethyl 3-[3-(diethylamino)phenoxy]propanoate?
The InChIKey is NNBAPODOINYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-16(5-2)13-8-7-9-14(12-13)19-11-10-15(17)18-6-3/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of ethyl 3-[3-(diethylamino)phenoxy]propanoate?
ethyl 3-[3-(diethylamino)phenoxy]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(diethylamino)phenoxy]propanoate is sourced from PubChem (CID 43517017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).