N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide

C23H28N2O3 — CID 3065828

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC
InChIInChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)
InChIKeyPCIWCYUKRZFCMF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.63
Rot. Bonds6

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide (PubChem CID 3065828) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide
PubChem CID3065828
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC
InChIInChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)
InChIKeyPCIWCYUKRZFCMF-UHFFFAOYSA-N
XLogP3.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide (CID 3065828) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide?
The InChIKey is PCIWCYUKRZFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 3065828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).