5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one

C19H25NO — CID 162498959

IUPAC5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one
SMILESCC(C)(C)N1C2=C(CCCC2)CC(=O)Cc2ccccc21
InChIInChI=1S/C19H25NO/c1-19(2,3)20-17-10-6-4-8-14(17)12-16(21)13-15-9-5-7-11-18(15)20/h4,6,8,10H,5,7,9,11-13H2,1-3H3
InChIKeyBFHTZWUSAAVFEH-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.63
Rot. Bonds

About 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one

5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one (PubChem CID 162498959) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one.

Molecular Properties

Compound Name5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one
PubChem CID162498959
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one
SMILESCC(C)(C)N1C2=C(CCCC2)CC(=O)Cc2ccccc21
InChIInChI=1S/C19H25NO/c1-19(2,3)20-17-10-6-4-8-14(17)12-16(21)13-15-9-5-7-11-18(15)20/h4,6,8,10H,5,7,9,11-13H2,1-3H3
InChIKeyBFHTZWUSAAVFEH-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one?
The IUPAC name of 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one (CID 162498959) is 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one.
What is the SMILES notation for 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one?
The canonical SMILES for 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one is CC(C)(C)N1C2=C(CCCC2)CC(=O)Cc2ccccc21.
What is the InChIKey of 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one?
The InChIKey is BFHTZWUSAAVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,3)20-17-10-6-4-8-14(17)12-16(21)13-15-9-5-7-11-18(15)20/h4,6,8,10H,5,7,9,11-13H2,1-3H3.
What are the key properties of 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one?
5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one has a molecular weight of 283.41 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one is sourced from PubChem (CID 162498959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).