(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate

C18H25NO3 — CID 2843536

IUPAC(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate
SMILESCC1CC2(C)CC(C)C1(COC(=O)Nc1ccccc1)CO2
InChIInChI=1S/C18H25NO3/c1-13-9-17(3)10-14(2)18(13,12-22-17)11-21-16(20)19-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,19,20)
InChIKeySDCHRXKTPFRXAD-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.08
Rot. Bonds3

About (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate

(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate (PubChem CID 2843536) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate
PubChem CID2843536
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate
SMILESCC1CC2(C)CC(C)C1(COC(=O)Nc1ccccc1)CO2
InChIInChI=1S/C18H25NO3/c1-13-9-17(3)10-14(2)18(13,12-22-17)11-21-16(20)19-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,19,20)
InChIKeySDCHRXKTPFRXAD-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate?
The IUPAC name of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate (CID 2843536) is (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate?
The canonical SMILES for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate is CC1CC2(C)CC(C)C1(COC(=O)Nc1ccccc1)CO2.
What is the InChIKey of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate?
The InChIKey is SDCHRXKTPFRXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-9-17(3)10-14(2)18(13,12-22-17)11-21-16(20)19-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,19,20).
What are the key properties of (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate?
(1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate has a molecular weight of 303.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 2843536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).