[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone

C20H28N2O2 — CID 22896805

IUPAC[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2CC3CCC(C2C(=O)N2CCOCC2)N3C)cc1
InChIInChI=1S/C20H28N2O2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(21(16)2)19(17)20(23)22-9-11-24-12-10-22/h3-6,16-19H,7-13H2,1-2H3
InChIKeySAGKYUWOOFCCBT-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.42
Rot. Bonds2

About [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone

[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone (PubChem CID 22896805) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
PubChem CID22896805
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2CC3CCC(C2C(=O)N2CCOCC2)N3C)cc1
InChIInChI=1S/C20H28N2O2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(21(16)2)19(17)20(23)22-9-11-24-12-10-22/h3-6,16-19H,7-13H2,1-2H3
InChIKeySAGKYUWOOFCCBT-UHFFFAOYSA-N
XLogP2.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone (CID 22896805) is [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone is Cc1ccc(C2CC3CCC(C2C(=O)N2CCOCC2)N3C)cc1.
What is the InChIKey of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SAGKYUWOOFCCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(21(16)2)19(17)20(23)22-9-11-24-12-10-22/h3-6,16-19H,7-13H2,1-2H3.
What are the key properties of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone?
[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 328.46 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22896805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).