2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C17H24N2O3 — CID 13053662

IUPAC2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1OC
InChIInChI=1S/C17H24N2O3/c1-19-12-7-8-13(19)10-11(9-12)18-17(20)14-5-4-6-15(21-2)16(14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t11?,12-,13+
InChIKeyFDJHNFZWGURSMA-YHWZYXNKSA-N
MW304.39 g/mol
LogP2.06
Rot. Bonds4

About 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide

2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 13053662) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID13053662
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESCOc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1OC
InChIInChI=1S/C17H24N2O3/c1-19-12-7-8-13(19)10-11(9-12)18-17(20)14-5-4-6-15(21-2)16(14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t11?,12-,13+
InChIKeyFDJHNFZWGURSMA-YHWZYXNKSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

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Related Compounds

3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxy-N-[(1S,5R)-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide;dihydrochloride
CID 54769620
N-[(1S,5R)-8-(2,3-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91924414
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2-methoxy-N-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamoyl]benzamide
CID 15751470
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 13053662) is 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide is COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is FDJHNFZWGURSMA-YHWZYXNKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19-12-7-8-13(19)10-11(9-12)18-17(20)14-5-4-6-15(21-2)16(14)22-3/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/t11?,12-,13+.
What are the key properties of 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 13053662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).