3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid

C20H23NO4 — CID 120686173

IUPAC3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cccc(C)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C20H23NO4/c1-12(2)25-18-9-8-15(20(23)24)10-17(18)21-19(22)11-16-13(3)6-5-7-14(16)4/h5-10,12H,11H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyWIUHEVFOQJKPBL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds6

About 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid

3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 120686173) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID120686173
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cccc(C)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C20H23NO4/c1-12(2)25-18-9-8-15(20(23)24)10-17(18)21-19(22)11-16-13(3)6-5-7-14(16)4/h5-10,12H,11H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyWIUHEVFOQJKPBL-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid with MolForge

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Related Compounds

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196243
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196498
3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196288
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
3-[3-(4-methylpentan-2-yloxy)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196415
3-[[2-(3-methylbutylsulfanyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196463
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
3-[4-(3-acetylphenoxy)butanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196492
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
3-[[2-(oxan-4-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196386
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196515

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid (CID 120686173) is 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid is Cc1cccc(C)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C.
What is the InChIKey of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is WIUHEVFOQJKPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-12(2)25-18-9-8-15(20(23)24)10-17(18)21-19(22)11-16-13(3)6-5-7-14(16)4/h5-10,12H,11H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 120686173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).