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

C21H25NO5 — CID 119231848

IUPAC2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H25NO5/c1-14-11-15(26-13-20(24)25)9-10-17(14)22-19(23)12-27-18-8-6-5-7-16(18)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRIZJCOYGXHLUNO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.77
Rot. Bonds7

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

2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231848) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231848
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C21H25NO5/c1-14-11-15(26-13-20(24)25)9-10-17(14)22-19(23)12-27-18-8-6-5-7-16(18)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRIZJCOYGXHLUNO-UHFFFAOYSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231408
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (CID 119231848) is 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is RIZJCOYGXHLUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14-11-15(26-13-20(24)25)9-10-17(14)22-19(23)12-27-18-8-6-5-7-16(18)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 371.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).