2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid

C17H23NO5 — CID 119255584

IUPAC2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CC2CCOCC2)cc1
InChIInChI=1S/C17H23NO5/c19-16(11-14-6-9-22-10-7-14)18-8-5-13-1-3-15(4-2-13)23-12-17(20)21/h1-4,14H,5-12H2,(H,18,19)(H,20,21)
InChIKeyATGPLUIYMPVOSB-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.63
Rot. Bonds8

About 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255584) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255584
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)CC2CCOCC2)cc1
InChIInChI=1S/C17H23NO5/c19-16(11-14-6-9-22-10-7-14)18-8-5-13-1-3-15(4-2-13)23-12-17(20)21/h1-4,14H,5-12H2,(H,18,19)(H,20,21)
InChIKeyATGPLUIYMPVOSB-UHFFFAOYSA-N
XLogP1.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3-(oxan-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255944
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
2-[4-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 167929677
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[[2-(trifluoromethylsulfanyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255439
2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid (CID 119255584) is 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)CC2CCOCC2)cc1.
What is the InChIKey of 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is ATGPLUIYMPVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c19-16(11-14-6-9-22-10-7-14)18-8-5-13-1-3-15(4-2-13)23-12-17(20)21/h1-4,14H,5-12H2,(H,18,19)(H,20,21).
What are the key properties of 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(oxan-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).