2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid

C14H19NO5 — CID 115949264

IUPAC2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)OCC(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-8-12(16)15-10-4-6-11(7-5-10)19-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCGZGIRVBEFMKES-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.90
Rot. Bonds6

About 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid

2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid (PubChem CID 115949264) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
PubChem CID115949264
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)OCC(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-8-12(16)15-10-4-6-11(7-5-10)19-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyCGZGIRVBEFMKES-UHFFFAOYSA-N
XLogP1.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
CID 112603565
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid (CID 115949264) is 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid is CC(C)(C)OCC(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid?
The InChIKey is CGZGIRVBEFMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-8-12(16)15-10-4-6-11(7-5-10)19-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 115949264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).