2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate

C19H20NO4- — CID 6952976

IUPAC2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)24-12-17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)/p-1
InChIKeyOXHZFMSDFXUKDF-UHFFFAOYSA-M
MW326.37 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate

2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate (PubChem CID 6952976) has the molecular formula C19H20NO4- and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
PubChem CID6952976
Molecular FormulaC19H20NO4-
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)24-12-17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)/p-1
InChIKeyOXHZFMSDFXUKDF-UHFFFAOYSA-M
XLogP2.37
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
CID 9252674
2-[4-[(Z)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9466108
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetate
CID 6978471
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
5-[[2-(4-tert-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7317544
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate?
The IUPAC name of 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate (CID 6952976) is 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate?
The canonical SMILES for 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate is CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate?
The InChIKey is OXHZFMSDFXUKDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)14-6-4-13(5-7-14)18(23)20-15-8-10-16(11-9-15)24-12-17(21)22/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)/p-1.
What are the key properties of 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate?
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate has a molecular weight of 326.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 6952976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).