3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid

C18H19NO4 — CID 84613778

IUPAC3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(C)C)cc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C18H19NO4/c1-11(2)12-7-8-16(23-3)15(10-12)17(20)19-14-6-4-5-13(9-14)18(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBBOMMQCHNONUEY-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.77
Rot. Bonds5

About 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid

3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid (PubChem CID 84613778) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid
PubChem CID84613778
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(C)C)cc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C18H19NO4/c1-11(2)12-7-8-16(23-3)15(10-12)17(20)19-14-6-4-5-13(9-14)18(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyBBOMMQCHNONUEY-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 1326744
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
4-methoxy-3-[[(1R)-1-phenylethyl]carbamoyl]benzoic acid
CID 129054309

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid (CID 84613778) is 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid is COc1ccc(C(C)C)cc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid?
The InChIKey is BBOMMQCHNONUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11(2)12-7-8-16(23-3)15(10-12)17(20)19-14-6-4-5-13(9-14)18(21)22/h4-11H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid?
3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid has a molecular weight of 313.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 84613778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).