9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid

C16H23NO4 — CID 22468230

IUPAC9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
SMILESCc1ccc(NC(=O)CCCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H23NO4/c1-12-9-10-13(14(18)11-12)17-15(19)7-5-3-2-4-6-8-16(20)21/h9-11,18H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeySOJFWFSAXCUWDT-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.45
Rot. Bonds9

About 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid

9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid (PubChem CID 22468230) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid.

Molecular Properties

Compound Name9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
PubChem CID22468230
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
SMILESCc1ccc(NC(=O)CCCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H23NO4/c1-12-9-10-13(14(18)11-12)17-15(19)7-5-3-2-4-6-8-16(20)21/h9-11,18H,2-8H2,1H3,(H,17,19)(H,20,21)
InChIKeySOJFWFSAXCUWDT-UHFFFAOYSA-N
XLogP3.45
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)hept-6-ynamide
CID 103907404
6-(2-methoxycarbonyl-4-methylanilino)-6-oxohexanoic acid
CID 60942037
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
5-(4-methyl-2-phenylanilino)-5-oxopentanoic acid
CID 110442673
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid?
The IUPAC name of 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid (CID 22468230) is 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid.
What is the SMILES notation for 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid?
The canonical SMILES for 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid is Cc1ccc(NC(=O)CCCCCCCC(=O)O)c(O)c1.
What is the InChIKey of 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid?
The InChIKey is SOJFWFSAXCUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-9-10-13(14(18)11-12)17-15(19)7-5-3-2-4-6-8-16(20)21/h9-11,18H,2-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid?
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid is sourced from PubChem (CID 22468230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).