[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone

C20H24N2O2 — CID 131646929

IUPAC[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2
InChIInChI=1S/C20H24N2O2/c1-14-17(10-11-24-14)20(23)22-16-8-9-18(22)19(12-16)21(2)13-15-6-4-3-5-7-15/h3-7,10-11,16,18-19H,8-9,12-13H2,1-2H3/t16?,18?,19-/m1/s1
InChIKeyCOBRGTYBRGOXIW-NKELODKYSA-N
MW324.42 g/mol
LogP3.47
Rot. Bonds4

About [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone

[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 131646929) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone
PubChem CID131646929
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2
InChIInChI=1S/C20H24N2O2/c1-14-17(10-11-24-14)20(23)22-16-8-9-18(22)19(12-16)21(2)13-15-6-4-3-5-7-15/h3-7,10-11,16,18-19H,8-9,12-13H2,1-2H3/t16?,18?,19-/m1/s1
InChIKeyCOBRGTYBRGOXIW-NKELODKYSA-N
XLogP3.47
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone (CID 131646929) is [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1C2CCC1[C@H](N(C)Cc1ccccc1)C2.
What is the InChIKey of [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is COBRGTYBRGOXIW-NKELODKYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-17(10-11-24-14)20(23)22-16-8-9-18(22)19(12-16)21(2)13-15-6-4-3-5-7-15/h3-7,10-11,16,18-19H,8-9,12-13H2,1-2H3/t16?,18?,19-/m1/s1.
What are the key properties of [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone?
[(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[benzyl(methyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 131646929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).