N-(5,5-dimethylhexyl)acridine-9-carboxamide

C22H26N2O — CID 88589115

IUPACN-(5,5-dimethylhexyl)acridine-9-carboxamide
SMILESCC(C)(C)CCCCNC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H26N2O/c1-22(2,3)14-8-9-15-23-21(25)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,23,25)
InChIKeyWYBQALYULAFCCD-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.33
Rot. Bonds5

About N-(5,5-dimethylhexyl)acridine-9-carboxamide

N-(5,5-dimethylhexyl)acridine-9-carboxamide (PubChem CID 88589115) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)acridine-9-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)acridine-9-carboxamide
PubChem CID88589115
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-(5,5-dimethylhexyl)acridine-9-carboxamide
SMILESCC(C)(C)CCCCNC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C22H26N2O/c1-22(2,3)14-8-9-15-23-21(25)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,23,25)
InChIKeyWYBQALYULAFCCD-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)acridine-9-carboxamide?
The IUPAC name of N-(5,5-dimethylhexyl)acridine-9-carboxamide (CID 88589115) is N-(5,5-dimethylhexyl)acridine-9-carboxamide.
What is the SMILES notation for N-(5,5-dimethylhexyl)acridine-9-carboxamide?
The canonical SMILES for N-(5,5-dimethylhexyl)acridine-9-carboxamide is CC(C)(C)CCCCNC(=O)c1c2ccccc2nc2ccccc12.
What is the InChIKey of N-(5,5-dimethylhexyl)acridine-9-carboxamide?
The InChIKey is WYBQALYULAFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-22(2,3)14-8-9-15-23-21(25)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-(5,5-dimethylhexyl)acridine-9-carboxamide?
N-(5,5-dimethylhexyl)acridine-9-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)acridine-9-carboxamide is sourced from PubChem (CID 88589115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).