2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid

C19H21NO4 — CID 4863455

IUPAC2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-12(2)14-9-8-13(3)10-17(14)24-11-18(21)20-16-7-5-4-6-15(16)19(22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyBPRZFFDRPWUZAY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.83
Rot. Bonds6

About 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid

2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid (PubChem CID 4863455) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
PubChem CID4863455
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C19H21NO4/c1-12(2)14-9-8-13(3)10-17(14)24-11-18(21)20-16-7-5-4-6-15(16)19(22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyBPRZFFDRPWUZAY-UHFFFAOYSA-N
XLogP3.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
methyl 2-hydroxy-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 56577461
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 18272936
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 5054756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid (CID 4863455) is 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is BPRZFFDRPWUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(2)14-9-8-13(3)10-17(14)24-11-18(21)20-16-7-5-4-6-15(16)19(22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 4863455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).