N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide

C23H24N2O — CID 3411008

IUPACN-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H24N2O/c1-16(15-17-9-3-2-4-10-17)24-23(26)22-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)22/h2-5,7,9-11,13,16H,6,8,12,14-15H2,1H3,(H,24,26)
InChIKeyFTMKWANVHASPBQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.47
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide

N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 3411008) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID3411008
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C23H24N2O/c1-16(15-17-9-3-2-4-10-17)24-23(26)22-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)22/h2-5,7,9-11,13,16H,6,8,12,14-15H2,1H3,(H,24,26)
InChIKeyFTMKWANVHASPBQ-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 3411008) is N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide is CC(Cc1ccccc1)NC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is FTMKWANVHASPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16(15-17-9-3-2-4-10-17)24-23(26)22-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)22/h2-5,7,9-11,13,16H,6,8,12,14-15H2,1H3,(H,24,26).
What are the key properties of N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 3411008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).