6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid

C16H23NO4 — CID 60933731

IUPAC6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)21-13-8-9-14(12(3)10-13)17-15(18)6-4-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHSKSVRVYAHVEFO-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds8

About 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid

6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid (PubChem CID 60933731) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
PubChem CID60933731
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
SMILESCc1cc(OC(C)C)ccc1NC(=O)CCCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)21-13-8-9-14(12(3)10-13)17-15(18)6-4-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyHSKSVRVYAHVEFO-UHFFFAOYSA-N
XLogP3.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
4-(4-carboxybutanoylamino)-3-methylbenzoic acid
CID 2223782
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
4-chloro-N-[3-(2-methyl-4-propan-2-yloxyanilino)-3-oxopropyl]benzamide
CID 55886913
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
3-chloro-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62727955

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid?
The IUPAC name of 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid (CID 60933731) is 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid?
The canonical SMILES for 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid is Cc1cc(OC(C)C)ccc1NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid?
The InChIKey is HSKSVRVYAHVEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)21-13-8-9-14(12(3)10-13)17-15(18)6-4-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid?
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid is sourced from PubChem (CID 60933731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).