N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide

C26H28N2O2 — CID 59627338

IUPACN-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
SMILESCC(C)CC(=O)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)16-23(29)14-10-19-8-11-21(12-9-19)26(30)28-25-17-22(13-15-24(25)27)20-6-4-3-5-7-20/h3-9,11-13,15,17-18H,10,14,16,27H2,1-2H3,(H,28,30)
InChIKeyGFZNYRRXPNNMBQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.74
Rot. Bonds8

About N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide

N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide (PubChem CID 59627338) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
PubChem CID59627338
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
SMILESCC(C)CC(=O)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)16-23(29)14-10-19-8-11-21(12-9-19)26(30)28-25-17-22(13-15-24(25)27)20-6-4-3-5-7-20/h3-9,11-13,15,17-18H,10,14,16,27H2,1-2H3,(H,28,30)
InChIKeyGFZNYRRXPNNMBQ-UHFFFAOYSA-N
XLogP5.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide (CID 59627338) is N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide is CC(C)CC(=O)CCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide?
The InChIKey is GFZNYRRXPNNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(2)16-23(29)14-10-19-8-11-21(12-9-19)26(30)28-25-17-22(13-15-24(25)27)20-6-4-3-5-7-20/h3-9,11-13,15,17-18H,10,14,16,27H2,1-2H3,(H,28,30).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide?
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide has a molecular weight of 400.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide is sourced from PubChem (CID 59627338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).