2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid

C20H23NO4 — CID 119351840

IUPAC2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-7-9-17(10-8-15)25-13-18(22)21-16-6-4-5-14(11-16)12-19(23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCSJAZDUBPJFXEV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.63
Rot. Bonds6

About 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid (PubChem CID 119351840) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid
PubChem CID119351840
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(CC(=O)O)c2)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-7-9-17(10-8-15)25-13-18(22)21-16-6-4-5-14(11-16)12-19(23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCSJAZDUBPJFXEV-UHFFFAOYSA-N
XLogP3.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid (CID 119351840) is 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid is CC(C)(C)c1ccc(OCC(=O)Nc2cccc(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid?
The InChIKey is CSJAZDUBPJFXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)15-7-9-17(10-8-15)25-13-18(22)21-16-6-4-5-14(11-16)12-19(23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).