N-(2-aminophenyl)-8-oxo-8-phenyloctanamide

C20H24N2O2 — CID 23072426

IUPACN-(2-aminophenyl)-8-oxo-8-phenyloctanamide
SMILESNc1ccccc1NC(=O)CCCCCCC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c21-17-12-8-9-13-18(17)22-20(24)15-7-2-1-6-14-19(23)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)
InChIKeyJPQXHVJGPUSGDL-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.43
Rot. Bonds9

About N-(2-aminophenyl)-8-oxo-8-phenyloctanamide

N-(2-aminophenyl)-8-oxo-8-phenyloctanamide (PubChem CID 23072426) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-oxo-8-phenyloctanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-oxo-8-phenyloctanamide
PubChem CID23072426
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-aminophenyl)-8-oxo-8-phenyloctanamide
SMILESNc1ccccc1NC(=O)CCCCCCC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2/c21-17-12-8-9-13-18(17)22-20(24)15-7-2-1-6-14-19(23)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)
InChIKeyJPQXHVJGPUSGDL-UHFFFAOYSA-N
XLogP4.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-oxo-8-phenyloctanamide?
The IUPAC name of N-(2-aminophenyl)-8-oxo-8-phenyloctanamide (CID 23072426) is N-(2-aminophenyl)-8-oxo-8-phenyloctanamide.
What is the SMILES notation for N-(2-aminophenyl)-8-oxo-8-phenyloctanamide?
The canonical SMILES for N-(2-aminophenyl)-8-oxo-8-phenyloctanamide is Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-8-oxo-8-phenyloctanamide?
The InChIKey is JPQXHVJGPUSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-17-12-8-9-13-18(17)22-20(24)15-7-2-1-6-14-19(23)16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24).
What are the key properties of N-(2-aminophenyl)-8-oxo-8-phenyloctanamide?
N-(2-aminophenyl)-8-oxo-8-phenyloctanamide has a molecular weight of 324.42 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-oxo-8-phenyloctanamide is sourced from PubChem (CID 23072426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).