[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate

C23H27NO3 — CID 6487793

IUPAC[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate
SMILESCOc1ccccc1C1CC2CCC(C1OC(C)=O)N2Cc1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(25)27-23-20(19-10-6-7-11-22(19)26-2)14-18-12-13-21(23)24(18)15-17-8-4-3-5-9-17/h3-11,18,20-21,23H,12-15H2,1-2H3
InChIKeyLMGVVDBQPNRMPT-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.15
Rot. Bonds5

About [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate

[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate (PubChem CID 6487793) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate.

Molecular Properties

Compound Name[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate
PubChem CID6487793
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate
SMILESCOc1ccccc1C1CC2CCC(C1OC(C)=O)N2Cc1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(25)27-23-20(19-10-6-7-11-22(19)26-2)14-18-12-13-21(23)24(18)15-17-8-4-3-5-9-17/h3-11,18,20-21,23H,12-15H2,1-2H3
InChIKeyLMGVVDBQPNRMPT-UHFFFAOYSA-N
XLogP4.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate?
The IUPAC name of [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate (CID 6487793) is [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate.
What is the SMILES notation for [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate?
The canonical SMILES for [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate is COc1ccccc1C1CC2CCC(C1OC(C)=O)N2Cc1ccccc1.
What is the InChIKey of [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate?
The InChIKey is LMGVVDBQPNRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(25)27-23-20(19-10-6-7-11-22(19)26-2)14-18-12-13-21(23)24(18)15-17-8-4-3-5-9-17/h3-11,18,20-21,23H,12-15H2,1-2H3.
What are the key properties of [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate?
[8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate has a molecular weight of 365.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-2-yl] acetate is sourced from PubChem (CID 6487793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).