methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate

C22H23NO3 — CID 15758871

IUPACmethyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(c3ccccc3)C1)N2C(=O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-26-21(25)22-13-12-19(14-18(15-22)16-8-4-2-5-9-16)23(22)20(24)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyYGGJSFQZNSHPQD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.78
Rot. Bonds3

About methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate

methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate (PubChem CID 15758871) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate
PubChem CID15758871
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namemethyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(c3ccccc3)C1)N2C(=O)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-26-21(25)22-13-12-19(14-18(15-22)16-8-4-2-5-9-16)23(22)20(24)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyYGGJSFQZNSHPQD-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
CID 15656752
methyl (1R,3R,4S)-7-benzoyl-3-ethyl-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 10913171
methyl (1R,4S)-7-benzoyl-3-methylidene-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 10635822
methyl (1S,5R,6S)-8-benzoyl-6-[tert-butyl(dimethyl)silyl]oxy-8-azabicyclo[3.2.1]octane-1-carboxylate
CID 10069759
methyl 7-(2-nitrobenzoyl)-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 20825299
methyl (2S)-1-benzoyl-1-azaspiro[4.6]undecane-2-carboxylate
CID 102141683
methyl (1S,2S,4S)-7-benzoyl-4-bromo-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 139114881
methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
methyl (2R,3S)-1-benzoyl-3-phenyl-2-prop-2-enylaziridine-2-carboxylate
CID 10687229
methyl 2-benzoyl-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 139095289
(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone
CID 67286105
methyl (1R,3S,5S,8S)-3-methyl-1,5-diphenyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 134962694

Frequently Asked Questions

What is the IUPAC name of methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate (CID 15758871) is methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate is COC(=O)C12CCC(CC(c3ccccc3)C1)N2C(=O)c1ccccc1.
What is the InChIKey of methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is YGGJSFQZNSHPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-26-21(25)22-13-12-19(14-18(15-22)16-8-4-2-5-9-16)23(22)20(24)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 15758871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).