N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide

C18H27N3O — CID 119459719

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H27N3O/c1-3-10-21(2)17-8-4-13(5-9-17)18(22)20-16-11-14-6-7-15(12-16)19-14/h4-5,8-9,14-16,19H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyDDLGEJYAASRXLQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.55
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide (PubChem CID 119459719) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
PubChem CID119459719
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H27N3O/c1-3-10-21(2)17-8-4-13(5-9-17)18(22)20-16-11-14-6-7-15(12-16)19-14/h4-5,8-9,14-16,19H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyDDLGEJYAASRXLQ-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[butyl(ethyl)amino]benzamide;dihydrochloride
CID 119456002
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
CID 119458968
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119458632
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide (CID 119459719) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide is CCCN(C)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide?
The InChIKey is DDLGEJYAASRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-10-21(2)17-8-4-13(5-9-17)18(22)20-16-11-14-6-7-15(12-16)19-14/h4-5,8-9,14-16,19H,3,6-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide has a molecular weight of 301.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide is sourced from PubChem (CID 119459719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).