methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C20H23NO3 — CID 11508116

IUPACmethyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C
InChIInChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
InChIKeyKAVKUIYDILEQNP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds3

About methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 11508116) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID11508116
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCOC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C
InChIInChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
InChIKeyKAVKUIYDILEQNP-UHFFFAOYSA-N
XLogP3.69
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate with MolForge

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Related Compounds

(+/-)-threo-N-(3-Methylfuran)methylphenidate
CID 52942853
(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
Methyl 3-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzoate
CID 44349519
Methyl 3-(4-(furan-2-yl)phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 44406308
8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid phenyl ester
CID 10109793
8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid m-tolyl ester
CID 22896940
3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid phenyl ester
CID 44278902
phenyl (3S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 46877989
Methyl 3-(4-(furan-2-yl)phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate
CID 10131344
3-[3-(4-Ethylphenyl)furan-2-yl]-1-azabicyclo[2.2.2]oct-2-ene
CID 10660333
Methyl 4-[2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-yl]benzoate
CID 10757263
8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid 4-methoxy-phenyl ester
CID 22896784

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 11508116) is methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is COC(=O)C1C(c2ccc(-c3ccoc3)cc2)CC2CCC1N2C.
What is the InChIKey of methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is KAVKUIYDILEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3.
What are the key properties of methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(furan-3-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 11508116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).