4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid

C18H16N2O6 — CID 71595352

IUPAC4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H16N2O6/c21-14-4-2-1-3-13(14)18(26)20-17(25)11-5-7-12(8-6-11)19-15(22)9-10-16(23)24/h1-8,21H,9-10H2,(H,19,22)(H,23,24)(H,20,25,26)
InChIKeyARDMZPBOOUWXSS-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.77
Rot. Bonds6

About 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid

4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid (PubChem CID 71595352) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
PubChem CID71595352
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H16N2O6/c21-14-4-2-1-3-13(14)18(26)20-17(25)11-5-7-12(8-6-11)19-15(22)9-10-16(23)24/h1-8,21H,9-10H2,(H,19,22)(H,23,24)(H,20,25,26)
InChIKeyARDMZPBOOUWXSS-UHFFFAOYSA-N
XLogP1.77
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid (CID 71595352) is 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(C(=O)NC(=O)c2ccccc2O)cc1.
What is the InChIKey of 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is ARDMZPBOOUWXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c21-14-4-2-1-3-13(14)18(26)20-17(25)11-5-7-12(8-6-11)19-15(22)9-10-16(23)24/h1-8,21H,9-10H2,(H,19,22)(H,23,24)(H,20,25,26).
What are the key properties of 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid?
4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 356.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 71595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).