2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate

C18H18NO5- — CID 7320451

IUPAC2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
SMILESO=C([O-])COCC(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c20-17(12-23-13-18(21)22)19-15-6-8-16(9-7-15)24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)(H,21,22)/p-1
InChIKeyVVOBJOBJALVGND-UHFFFAOYSA-M
MW328.34 g/mol
LogP1.01
Rot. Bonds9

About 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate

2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate (PubChem CID 7320451) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
PubChem CID7320451
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
SMILESO=C([O-])COCC(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c20-17(12-23-13-18(21)22)19-15-6-8-16(9-7-15)24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)(H,21,22)/p-1
InChIKeyVVOBJOBJALVGND-UHFFFAOYSA-M
XLogP1.01
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
2-[4-(3-phenylpropanoylamino)phenoxy]acetate
CID 2231593
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 3889056
N-[(5-methylfuran-2-yl)methyl]-2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetamide
CID 5195228
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate
CID 7322054
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
CID 54818682

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate?
The IUPAC name of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate (CID 7320451) is 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate.
What is the SMILES notation for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate?
The canonical SMILES for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate is O=C([O-])COCC(=O)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate?
The InChIKey is VVOBJOBJALVGND-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19NO5/c20-17(12-23-13-18(21)22)19-15-6-8-16(9-7-15)24-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)(H,21,22)/p-1.
What are the key properties of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate?
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate has a molecular weight of 328.34 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate is sourced from PubChem (CID 7320451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).