9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide

C23H20N2O2 — CID 16748017

IUPAC9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-23(2,16-8-4-3-5-9-16)25-22(27)15-12-13-18-20(14-15)24-19-11-7-6-10-17(19)21(18)26/h3-14H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLRKMGXVITBTUOC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.35
Rot. Bonds3

About 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide

9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide (PubChem CID 16748017) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
PubChem CID16748017
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-23(2,16-8-4-3-5-9-16)25-22(27)15-12-13-18-20(14-15)24-19-11-7-6-10-17(19)21(18)26/h3-14H,1-2H3,(H,24,26)(H,25,27)
InChIKeyLRKMGXVITBTUOC-UHFFFAOYSA-N
XLogP4.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The IUPAC name of 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide (CID 16748017) is 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide.
What is the SMILES notation for 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The canonical SMILES for 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1.
What is the InChIKey of 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The InChIKey is LRKMGXVITBTUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-23(2,16-8-4-3-5-9-16)25-22(27)15-12-13-18-20(14-15)24-19-11-7-6-10-17(19)21(18)26/h3-14H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).