tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate

C16H24N2O3 — CID 143345259

IUPACtert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2=CC(C(N)=O)CCC=C21
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13-8-7-10-9-11(14(17)19)5-4-6-12(10)13/h6,9,11,13H,4-5,7-8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyGQYCORGOPSTZMN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate

tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate (PubChem CID 143345259) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate
PubChem CID143345259
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC2=CC(C(N)=O)CCC=C21
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13-8-7-10-9-11(14(17)19)5-4-6-12(10)13/h6,9,11,13H,4-5,7-8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyGQYCORGOPSTZMN-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate?
The IUPAC name of tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate (CID 143345259) is tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate is CC(C)(C)OC(=O)NC1CCC2=CC(C(N)=O)CCC=C21.
What is the InChIKey of tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate?
The InChIKey is GQYCORGOPSTZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13-8-7-10-9-11(14(17)19)5-4-6-12(10)13/h6,9,11,13H,4-5,7-8H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate?
tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate is sourced from PubChem (CID 143345259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).