N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C20H26ClN3O3 — CID 119458632

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2C1=O.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-2-3-8-23-19(25)16-7-4-12(9-17(16)20(23)26)18(24)22-15-10-13-5-6-14(11-15)21-13;/h4,7,9,13-15,21H,2-3,5-6,8,10-11H2,1H3,(H,22,24);1H
InChIKeySXDIYPXCHVFWRA-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.52
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119458632) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119458632
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2C1=O.Cl
InChIInChI=1S/C20H25N3O3.ClH/c1-2-3-8-23-19(25)16-7-4-12(9-17(16)20(23)26)18(24)22-15-10-13-5-6-14(11-15)21-13;/h4,7,9,13-15,21H,2-3,5-6,8,10-11H2,1H3,(H,22,24);1H
InChIKeySXDIYPXCHVFWRA-UHFFFAOYSA-N
XLogP2.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride with MolForge

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Related Compounds

2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 119456231
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 119458289
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-5-[4-(methylamino)piperidine-1-carbonyl]isoindole-1,3-dione
CID 119563122
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119458632) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CCCCN1C(=O)c2ccc(C(=O)NC3CC4CCC(C3)N4)cc2C1=O.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is SXDIYPXCHVFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.ClH/c1-2-3-8-23-19(25)16-7-4-12(9-17(16)20(23)26)18(24)22-15-10-13-5-6-14(11-15)21-13;/h4,7,9,13-15,21H,2-3,5-6,8,10-11H2,1H3,(H,22,24);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119458632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).