N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide

C21H24N2O3 — CID 136532471

IUPACN-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)Cc1ccoc1
InChIInChI=1S/C21H24N2O3/c1-22(21(25)16-5-3-2-4-6-16)19-12-17-7-8-18(13-19)23(17)20(24)11-15-9-10-26-14-15/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3
InChIKeyHSBWOURGDMTOBX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.12
Rot. Bonds4

About N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide

N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide (PubChem CID 136532471) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
PubChem CID136532471
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)Cc1ccoc1
InChIInChI=1S/C21H24N2O3/c1-22(21(25)16-5-3-2-4-6-16)19-12-17-7-8-18(13-19)23(17)20(24)11-15-9-10-26-14-15/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3
InChIKeyHSBWOURGDMTOBX-UHFFFAOYSA-N
XLogP3.12
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide with MolForge

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Related Compounds

N-[8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide
CID 119043329
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
5-[3-[benzoyl(methyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyrazine-2-carboxylic acid
CID 122054760
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methylfuran-3-carboxamide
CID 134695556
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone
CID 71808979
3-cyclopropyl-1-(furan-3-yl)butan-2-one
CID 115795878
1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90591349
tert-butyl 5-[2-(furan-3-yl)acetyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 126818961
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
1-[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-thiophen-2-ylethanone
CID 98193102

Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The IUPAC name of N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide (CID 136532471) is N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide.
What is the SMILES notation for N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The canonical SMILES for N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide is CN(C(=O)c1ccccc1)C1CC2CCC(C1)N2C(=O)Cc1ccoc1.
What is the InChIKey of N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
The InChIKey is HSBWOURGDMTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22(21(25)16-5-3-2-4-6-16)19-12-17-7-8-18(13-19)23(17)20(24)11-15-9-10-26-14-15/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3.
What are the key properties of N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide?
N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(furan-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylbenzamide is sourced from PubChem (CID 136532471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).