2-[2-(2-anilinoethoxy)ethoxy]acetic acid

C12H17NO4 — CID 101429259

IUPAC2-[2-(2-anilinoethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCCNc1ccccc1
InChIInChI=1S/C12H17NO4/c14-12(15)10-17-9-8-16-7-6-13-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,15)
InChIKeyQNONGPGOOVRVOK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-(2-anilinoethoxy)ethoxy]acetic acid

2-[2-(2-anilinoethoxy)ethoxy]acetic acid (PubChem CID 101429259) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[2-(2-anilinoethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-anilinoethoxy)ethoxy]acetic acid
PubChem CID101429259
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[2-(2-anilinoethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCCNc1ccccc1
InChIInChI=1S/C12H17NO4/c14-12(15)10-17-9-8-16-7-6-13-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,15)
InChIKeyQNONGPGOOVRVOK-UHFFFAOYSA-N
XLogP1.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-anilinoethoxy)ethyl acetate
CID 102065081
2-[2-(4-cyanoanilino)ethoxy]acetic acid
CID 79456667
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140
2-(2-anilinoethoxy)ethyl formate
CID 102065077
2-(2-anilinoethoxy)ethyl butanoate
CID 102065089
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
2-[2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]acetic acid
CID 58687735
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
CID 79469043
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
2-anilinoethyl 2-methylpropanoate
CID 20975992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-anilinoethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-anilinoethoxy)ethoxy]acetic acid (CID 101429259) is 2-[2-(2-anilinoethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-anilinoethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-anilinoethoxy)ethoxy]acetic acid is O=C(O)COCCOCCNc1ccccc1.
What is the InChIKey of 2-[2-(2-anilinoethoxy)ethoxy]acetic acid?
The InChIKey is QNONGPGOOVRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-12(15)10-17-9-8-16-7-6-13-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,15).
What are the key properties of 2-[2-(2-anilinoethoxy)ethoxy]acetic acid?
2-[2-(2-anilinoethoxy)ethoxy]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-anilinoethoxy)ethoxy]acetic acid is sourced from PubChem (CID 101429259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).