N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide

C23H29N3O — CID 119458968

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H29N3O/c1-2-26(16-17-6-4-3-5-7-17)22-12-8-18(9-13-22)23(27)25-21-14-19-10-11-20(15-21)24-19/h3-9,12-13,19-21,24H,2,10-11,14-16H2,1H3,(H,25,27)
InChIKeyLCNMDPHZLLOMKH-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.73
Rot. Bonds6

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide (PubChem CID 119458968) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
PubChem CID119458968
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H29N3O/c1-2-26(16-17-6-4-3-5-7-17)22-12-8-18(9-13-22)23(27)25-21-14-19-10-11-20(15-21)24-19/h3-9,12-13,19-21,24H,2,10-11,14-16H2,1H3,(H,25,27)
InChIKeyLCNMDPHZLLOMKH-UHFFFAOYSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.73
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-[methyl(propyl)amino]benzamide
CID 119459719
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
CID 119433593
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide (CID 119458968) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide is CCN(Cc1ccccc1)c1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide?
The InChIKey is LCNMDPHZLLOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-26(16-17-6-4-3-5-7-17)22-12-8-18(9-13-22)23(27)25-21-14-19-10-11-20(15-21)24-19/h3-9,12-13,19-21,24H,2,10-11,14-16H2,1H3,(H,25,27).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide has a molecular weight of 363.51 g/mol, XLogP of 3.73, 6 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-[benzyl(ethyl)amino]benzamide is sourced from PubChem (CID 119458968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).