3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone

C16H21NO3 — CID 71795929

IUPAC3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2C3CCC2COC3)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)20-15-7-3-12(4-8-15)16(18)17-13-5-6-14(17)10-19-9-13/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3
InChIKeyNRUFSECOSHFLEK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.48
Rot. Bonds3

About 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone

3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone (PubChem CID 71795929) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone
PubChem CID71795929
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2C3CCC2COC3)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)20-15-7-3-12(4-8-15)16(18)17-13-5-6-14(17)10-19-9-13/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3
InChIKeyNRUFSECOSHFLEK-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone (CID 71795929) is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2C3CCC2COC3)cc1.
What is the InChIKey of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is NRUFSECOSHFLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)20-15-7-3-12(4-8-15)16(18)17-13-5-6-14(17)10-19-9-13/h3-4,7-8,11,13-14H,5-6,9-10H2,1-2H3.
What are the key properties of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone?
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 71795929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).