N-tert-butyl-9-oxo-10H-acridine-3-carboxamide

C18H18N2O2 — CID 16748634

IUPACN-tert-butyl-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-17(22)11-8-9-13-15(10-11)19-14-7-5-4-6-12(14)16(13)21/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBNPBAOYSKCJKM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.21
Rot. Bonds1

About N-tert-butyl-9-oxo-10H-acridine-3-carboxamide

N-tert-butyl-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748634) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-tert-butyl-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748634
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-tert-butyl-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-18(2,3)20-17(22)11-8-9-13-15(10-11)19-14-7-5-4-6-12(14)16(13)21/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUBNPBAOYSKCJKM-UHFFFAOYSA-N
XLogP3.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.21
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 N-tert-butyl-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-tert-butyl-9-oxo-10H-acridine-3-carboxamide (CID 16748634) is N-tert-butyl-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-9-oxo-10H-acridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1.
What is the InChIKey of N-tert-butyl-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is UBNPBAOYSKCJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2,3)20-17(22)11-8-9-13-15(10-11)19-14-7-5-4-6-12(14)16(13)21/h4-10H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-9-oxo-10H-acridine-3-carboxamide?
N-tert-butyl-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).