N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide

C17H20N2O — CID 824113

IUPACN-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)NC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N2O/c1-11(2)18-17(20)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,18,20)
InChIKeyAIIWMAOPJJUOBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.25
Rot. Bonds2

About N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide

N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 824113) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID824113
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)NC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N2O/c1-11(2)18-17(20)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,18,20)
InChIKeyAIIWMAOPJJUOBY-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 824113) is N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide is CC(C)NC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is AIIWMAOPJJUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11(2)18-17(20)16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h3,5,7,9,11H,4,6,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 824113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).