1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

C22H27NO2 — CID 10337163

IUPAC1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)C1C(c2ccc3cc(OC)ccc3c2)CC2CCC1N2C
InChIInChI=1S/C22H27NO2/c1-4-21(24)22-19(13-17-8-10-20(22)23(17)2)16-6-5-15-12-18(25-3)9-7-14(15)11-16/h5-7,9,11-12,17,19-20,22H,4,8,10,13H2,1-3H3
InChIKeyNBXHPPSAAQZXHP-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.39
Rot. Bonds4

About 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (PubChem CID 10337163) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
PubChem CID10337163
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)C1C(c2ccc3cc(OC)ccc3c2)CC2CCC1N2C
InChIInChI=1S/C22H27NO2/c1-4-21(24)22-19(13-17-8-10-20(22)23(17)2)16-6-5-15-12-18(25-3)9-7-14(15)11-16/h5-7,9,11-12,17,19-20,22H,4,8,10,13H2,1-3H3
InChIKeyNBXHPPSAAQZXHP-UHFFFAOYSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The IUPAC name of 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one (CID 10337163) is 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is CCC(=O)C1C(c2ccc3cc(OC)ccc3c2)CC2CCC1N2C.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
The InChIKey is NBXHPPSAAQZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-4-21(24)22-19(13-17-8-10-20(22)23(17)2)16-6-5-15-12-18(25-3)9-7-14(15)11-16/h5-7,9,11-12,17,19-20,22H,4,8,10,13H2,1-3H3.
What are the key properties of 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one?
1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one is sourced from PubChem (CID 10337163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).