4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid

C18H19NO4 — CID 19165036

IUPAC4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)15-5-3-4-6-16(15)23-11-17(20)19-14-9-7-13(8-10-14)18(21)22/h3-10,12H,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJITSREIAHUYMRB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.53
Rot. Bonds6

About 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid

4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid (PubChem CID 19165036) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
PubChem CID19165036
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H19NO4/c1-12(2)15-5-3-4-6-16(15)23-11-17(20)19-14-9-7-13(8-10-14)18(21)22/h3-10,12H,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJITSREIAHUYMRB-UHFFFAOYSA-N
XLogP3.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 43887467
N-[4-(methylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9219528
N-methyl-3-[4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
CID 54780767
methyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate
CID 19188236
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid (CID 19165036) is 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid is CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is JITSREIAHUYMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)15-5-3-4-6-16(15)23-11-17(20)19-14-9-7-13(8-10-14)18(21)22/h3-10,12H,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 19165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).