2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide

C22H31N3O — CID 24799949

IUPAC2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H31N3O/c1-22(2,3)21(26)24-15-9-8-14-23-20-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)20/h4,6,10,12H,5,7-9,11,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNDNHQHDGXMCKAU-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.47
Rot. Bonds6

About 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide

2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide (PubChem CID 24799949) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
PubChem CID24799949
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C22H31N3O/c1-22(2,3)21(26)24-15-9-8-14-23-20-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)20/h4,6,10,12H,5,7-9,11,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNDNHQHDGXMCKAU-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide with MolForge

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Related Compounds

4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
S-[1-oxo-1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propan-2-yl] ethanethioate
CID 66549587
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 122185533
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide (CID 24799949) is 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide is CC(C)(C)C(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide?
The InChIKey is NDNHQHDGXMCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-22(2,3)21(26)24-15-9-8-14-23-20-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)20/h4,6,10,12H,5,7-9,11,13-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide?
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide is sourced from PubChem (CID 24799949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).