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

C19H23NO4 — CID 18625723

IUPACethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OCCN)cc1)Oc1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-22-19(21)18(24-17-6-4-3-5-7-17)14-15-8-10-16(11-9-15)23-13-12-20/h3-11,18H,2,12-14,20H2,1H3
InChIKeyOGNIEBPUSZRWFE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.58
Rot. Bonds9

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

ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate (PubChem CID 18625723) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate
PubChem CID18625723
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate
SMILESCCOC(=O)C(Cc1ccc(OCCN)cc1)Oc1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-22-19(21)18(24-17-6-4-3-5-7-17)14-15-8-10-16(11-9-15)23-13-12-20/h3-11,18H,2,12-14,20H2,1H3
InChIKeyOGNIEBPUSZRWFE-UHFFFAOYSA-N
XLogP2.58
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.58
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-phenoxypropanoate?
The IUPAC name of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate (CID 18625723) is ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate.
What is the SMILES notation for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate?
The canonical SMILES for ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate is CCOC(=O)C(Cc1ccc(OCCN)cc1)Oc1ccccc1.
What is the InChIKey of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate?
The InChIKey is OGNIEBPUSZRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-22-19(21)18(24-17-6-4-3-5-7-17)14-15-8-10-16(11-9-15)23-13-12-20/h3-11,18H,2,12-14,20H2,1H3.
What are the key properties of ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate?
ethyl 3-[4-(2-aminoethoxy)phenyl]-2-phenoxypropanoate has a molecular weight of 329.40 g/mol, XLogP of 2.58, 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-phenoxypropanoate is sourced from PubChem (CID 18625723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).