methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

C26H27NO2 — CID 10200108

IUPACmethyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3ccc4ccccc4c3)cc2)CC2CCC1N2C
InChIInChI=1S/C26H27NO2/c1-27-22-13-14-24(27)25(26(28)29-2)23(16-22)19-10-7-18(8-11-19)21-12-9-17-5-3-4-6-20(17)15-21/h3-12,15,22-25H,13-14,16H2,1-2H3
InChIKeyQVFACPWGOCJQMV-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.25
Rot. Bonds3

About methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 10200108) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID10200108
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Namemethyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3ccc4ccccc4c3)cc2)CC2CCC1N2C
InChIInChI=1S/C26H27NO2/c1-27-22-13-14-24(27)25(26(28)29-2)23(16-22)19-10-7-18(8-11-19)21-12-9-17-5-3-4-6-20(17)15-21/h3-12,15,22-25H,13-14,16H2,1-2H3
InChIKeyQVFACPWGOCJQMV-UHFFFAOYSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

methyl (1R,2R,3R,5S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101064732
methyl (1R,2S,3S,5S)-3-[4-(4-acetylphenyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 101047525
CID 10232220
CID 10232220
methyl 8-methyl-3-[4-(2-phenylethyl)phenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22896928
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 644015
methyl (1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67781854
methyl (1R,2R,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98094965
methyl (1R,2R,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 11385480
methyl (1S,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 165339397
2,3-dihydroxybutanedioic acid;methyl (1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 21124918
tert-butyl 5-[4-[(1R,2S,3S,5S)-2-methoxycarbonyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]phenyl]indole-1-carboxylate
CID 70034191
methyl 3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
CID 91995540

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 10200108) is methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is COC(=O)C1C(c2ccc(-c3ccc4ccccc4c3)cc2)CC2CCC1N2C.
What is the InChIKey of methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is QVFACPWGOCJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-27-22-13-14-24(27)25(26(28)29-2)23(16-22)19-10-7-18(8-11-19)21-12-9-17-5-3-4-6-20(17)15-21/h3-12,15,22-25H,13-14,16H2,1-2H3.
What are the key properties of methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-3-(4-naphthalen-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 10200108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).