tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate

C19H25NO2 — CID 123888447

IUPACtert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C=CCC1CCC1C2
InChIInChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-17-10-9-16-11-15-8-7-13(15)5-4-6-14(16)12-17/h4,6,9-10,12-13,15H,5,7-8,11H2,1-3H3,(H,20,21)
InChIKeyYSPKQDVXEXHRBB-UHFFFAOYSA-N
MW299.41 g/mol
LogP5.02
Rot. Bonds1

About tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate

tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate (PubChem CID 123888447) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate
PubChem CID123888447
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Nametert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C=CCC1CCC1C2
InChIInChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-17-10-9-16-11-15-8-7-13(15)5-4-6-14(16)12-17/h4,6,9-10,12-13,15H,5,7-8,11H2,1-3H3,(H,20,21)
InChIKeyYSPKQDVXEXHRBB-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate?
The IUPAC name of tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate (CID 123888447) is tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate.
What is the SMILES notation for tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate?
The canonical SMILES for tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)C=CCC1CCC1C2.
What is the InChIKey of tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate?
The InChIKey is YSPKQDVXEXHRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2,3)22-18(21)20-17-10-9-16-11-15-8-7-13(15)5-4-6-14(16)12-17/h4,6,9-10,12-13,15H,5,7-8,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate?
tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate has a molecular weight of 299.41 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(12-tricyclo[8.4.0.03,6]tetradeca-1(10),8,11,13-tetraenyl)carbamate is sourced from PubChem (CID 123888447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).