N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide

C18H26N2O — CID 86810383

IUPACN-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
SMILESCCCCNC(=O)C1c2ccccc2NC2CCCCC21
InChIInChI=1S/C18H26N2O/c1-2-3-12-19-18(21)17-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)17/h4,6,8,10,14,16-17,20H,2-3,5,7,9,11-12H2,1H3,(H,19,21)
InChIKeyQXJQLDDLCKBUQH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.67
Rot. Bonds4

About N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide

N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide (PubChem CID 86810383) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
PubChem CID86810383
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
SMILESCCCCNC(=O)C1c2ccccc2NC2CCCCC21
InChIInChI=1S/C18H26N2O/c1-2-3-12-19-18(21)17-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)17/h4,6,8,10,14,16-17,20H,2-3,5,7,9,11-12H2,1H3,(H,19,21)
InChIKeyQXJQLDDLCKBUQH-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 84694667
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
3-[(3aR,9aR)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl]-2-(cyclopropylmethylamino)-4,5-dioxo-5-phenylpent-2-enoic acid
CID 90117266
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
CID 91507842
N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3698854
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-butyl-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 21414275
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
1-butyl-3-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)urea
CID 165476732
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide?
The IUPAC name of N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide (CID 86810383) is N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide.
What is the SMILES notation for N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide?
The canonical SMILES for N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide is CCCCNC(=O)C1c2ccccc2NC2CCCCC21.
What is the InChIKey of N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide?
The InChIKey is QXJQLDDLCKBUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-12-19-18(21)17-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)17/h4,6,8,10,14,16-17,20H,2-3,5,7,9,11-12H2,1H3,(H,19,21).
What are the key properties of N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide?
N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide is sourced from PubChem (CID 86810383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).