ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate

C15H23NO4 — CID 10858931

IUPACethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OCCN)cc1)OCC
InChIInChI=1S/C15H23NO4/c1-3-18-14(15(17)19-4-2)11-12-5-7-13(8-6-12)20-10-9-16/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyDLXYWFRCQQKCHN-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.53
Rot. Bonds9

About ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate

ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate (PubChem CID 10858931) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate
PubChem CID10858931
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OCCN)cc1)OCC
InChIInChI=1S/C15H23NO4/c1-3-18-14(15(17)19-4-2)11-12-5-7-13(8-6-12)20-10-9-16/h5-8,14H,3-4,9-11,16H2,1-2H3
InChIKeyDLXYWFRCQQKCHN-UHFFFAOYSA-N
XLogP1.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate?
The IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate (CID 10858931) is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate.
What is the SMILES notation for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate?
The canonical SMILES for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate is CCOC(=O)C(Cc1ccc(OCCN)cc1)OCC.
What is the InChIKey of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate?
The InChIKey is DLXYWFRCQQKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-18-14(15(17)19-4-2)11-12-5-7-13(8-6-12)20-10-9-16/h5-8,14H,3-4,9-11,16H2,1-2H3.
What are the key properties of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate?
ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate has a molecular weight of 281.35 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-ethoxypropanoate is sourced from PubChem (CID 10858931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).