6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate

C22H32N2O4 — CID 67910614

IUPAC6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate
SMILESO=C(NC1CC2C=CC1C2)OCCCCCCOC(=O)NC1CC2C=CC1C2
InChIInChI=1S/C22H32N2O4/c25-21(23-19-13-15-5-7-17(19)11-15)27-9-3-1-2-4-10-28-22(26)24-20-14-16-6-8-18(20)12-16/h5-8,15-20H,1-4,9-14H2,(H,23,25)(H,24,26)
InChIKeyVUAJMCXCEWBRRO-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.93
Rot. Bonds9

About 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate

6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate (PubChem CID 67910614) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate
PubChem CID67910614
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate
SMILESO=C(NC1CC2C=CC1C2)OCCCCCCOC(=O)NC1CC2C=CC1C2
InChIInChI=1S/C22H32N2O4/c25-21(23-19-13-15-5-7-17(19)11-15)27-9-3-1-2-4-10-28-22(26)24-20-14-16-6-8-18(20)12-16/h5-8,15-20H,1-4,9-14H2,(H,23,25)(H,24,26)
InChIKeyVUAJMCXCEWBRRO-UHFFFAOYSA-N
XLogP3.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate?
The IUPAC name of 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate (CID 67910614) is 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate?
The canonical SMILES for 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate is O=C(NC1CC2C=CC1C2)OCCCCCCOC(=O)NC1CC2C=CC1C2.
What is the InChIKey of 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate?
The InChIKey is VUAJMCXCEWBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c25-21(23-19-13-15-5-7-17(19)11-15)27-9-3-1-2-4-10-28-22(26)24-20-14-16-6-8-18(20)12-16/h5-8,15-20H,1-4,9-14H2,(H,23,25)(H,24,26).
What are the key properties of 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate?
6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate has a molecular weight of 388.51 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]hept-5-enylcarbamoyloxy)hexyl N-(2-bicyclo[2.2.1]hept-5-enyl)carbamate is sourced from PubChem (CID 67910614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).