3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid

C19H21NO4 — CID 119196243

IUPAC3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1C
InChIInChI=1S/C19H21NO4/c1-11(2)24-17-9-8-14(19(22)23)10-16(17)20-18(21)15-7-5-6-12(3)13(15)4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyRFHHMONNMVLILB-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.04
Rot. Bonds5

About 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid

3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196243) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196243
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid
SMILESCc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1C
InChIInChI=1S/C19H21NO4/c1-11(2)24-17-9-8-14(19(22)23)10-16(17)20-18(21)15-7-5-6-12(3)13(15)4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyRFHHMONNMVLILB-UHFFFAOYSA-N
XLogP4.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
3-[(3-methylfuran-2-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196669
4-propan-2-yloxy-3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]benzoic acid
CID 120517846
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196672
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-propan-2-yloxybenzoic acid
CID 120517900
3-[2-(3-fluorophenyl)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196657
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
4-propan-2-yloxy-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)benzoic acid
CID 119196623
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid (CID 119196243) is 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid is Cc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)c1C.
What is the InChIKey of 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is RFHHMONNMVLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(2)24-17-9-8-14(19(22)23)10-16(17)20-18(21)15-7-5-6-12(3)13(15)4/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid?
3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 327.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylbenzoyl)amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).