ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate

C14H19NO4 — CID 871461

IUPACethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)10-19-13-6-4-12(5-7-13)8-9-15-11(2)16/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyPVSUBAHYRQJJGR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.31
Rot. Bonds7

About ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate

ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate (PubChem CID 871461) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate
PubChem CID871461
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C14H19NO4/c1-3-18-14(17)10-19-13-6-4-12(5-7-13)8-9-15-11(2)16/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyPVSUBAHYRQJJGR-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate (CID 871461) is ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate is CCOC(=O)COc1ccc(CCNC(C)=O)cc1.
What is the InChIKey of ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate?
The InChIKey is PVSUBAHYRQJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-14(17)10-19-13-6-4-12(5-7-13)8-9-15-11(2)16/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate?
ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-acetamidoethyl)phenoxy]acetate is sourced from PubChem (CID 871461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).