2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid

C18H19NO5 — CID 5034646

IUPAC2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid
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)
InChIKeyVVOBJOBJALVGND-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.35
Rot. Bonds9

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

2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid (PubChem CID 5034646) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid
PubChem CID5034646
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid
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)
InChIKeyVVOBJOBJALVGND-UHFFFAOYSA-N
XLogP2.35
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid (CID 5034646) is 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid?
The InChIKey is VVOBJOBJALVGND-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid?
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid has a molecular weight of 329.35 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetic acid is sourced from PubChem (CID 5034646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).