1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate

C21H26N2O2 — CID 175101324

IUPAC1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC1CN2CCC1CC2)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O2/c1-15(2)23(19-9-5-7-16-6-3-4-8-18(16)19)21(24)25-20-14-22-12-10-17(20)11-13-22/h3-9,15,17,20H,10-14H2,1-2H3
InChIKeyFHAPREZJDNCYDI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.29
Rot. Bonds3

About 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate

1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate (PubChem CID 175101324) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate
PubChem CID175101324
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC1CN2CCC1CC2)c1cccc2ccccc12
InChIInChI=1S/C21H26N2O2/c1-15(2)23(19-9-5-7-16-6-3-4-8-18(16)19)21(24)25-20-14-22-12-10-17(20)11-13-22/h3-9,15,17,20H,10-14H2,1-2H3
InChIKeyFHAPREZJDNCYDI-UHFFFAOYSA-N
XLogP4.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-azabicyclo[2.2.2]octan-3-yl N-(3-methoxyphenyl)-N-propan-2-ylcarbamate
CID 175105008
1-azabicyclo[2.2.2]octan-3-yl N-(2-methylpropoxy)-N-phenylcarbamate
CID 175352064
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-ethyl-N-phenylcarbamate
CID 118563722
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-phenylpropanoate
CID 144638538
1-azabicyclo[2.2.2]octan-3-yl 1-naphthalen-1-ylcyclobutane-1-carboxylate
CID 23294964
1-azabicyclo[2.2.2]octan-3-yl N-[2-(naphthalen-1-ylmethylsulfanyl)phenyl]carbamate
CID 20628594
1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
CID 10320372
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
4-[[N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonyl]-2-fluoroanilino]methyl]-2-fluorobenzoic acid
CID 134246974
1-azabicyclo[2.2.2]octan-3-yl N-benzyl-N-(3-bromophenyl)carbamate
CID 10158758
2-[4-[[N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonyl]anilino]methyl]phenyl]acetic acid
CID 134247000
1-azabicyclo[2.2.2]octan-3-yl 3-((111C)methylamino)benzoate
CID 122488355

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate (CID 175101324) is 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC1CN2CCC1CC2)c1cccc2ccccc12.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate?
The InChIKey is FHAPREZJDNCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)23(19-9-5-7-16-6-3-4-8-18(16)19)21(24)25-20-14-22-12-10-17(20)11-13-22/h3-9,15,17,20H,10-14H2,1-2H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate?
1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate has a molecular weight of 338.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate is sourced from PubChem (CID 175101324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).