N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

C24H25N3O2 — CID 42905717

IUPACN-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2C1
InChIInChI=1S/C24H25N3O2/c1-15-8-13-21-19(14-15)22(18-6-4-5-7-20(18)26-21)23(28)25-17-11-9-16(10-12-17)24(29)27(2)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,25,28)
InChIKeyNCECPPQPPTUDPH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 42905717) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID42905717
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2C1
InChIInChI=1S/C24H25N3O2/c1-15-8-13-21-19(14-15)22(18-6-4-5-7-20(18)26-21)23(28)25-17-11-9-16(10-12-17)24(29)27(2)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,25,28)
InChIKeyNCECPPQPPTUDPH-UHFFFAOYSA-N
XLogP4.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 42905717) is N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is CC1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c2C1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is NCECPPQPPTUDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-8-13-21-19(14-15)22(18-6-4-5-7-20(18)26-21)23(28)25-17-11-9-16(10-12-17)24(29)27(2)3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 42905717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).