propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

C23H22N2O4 — CID 130314436

About propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate

propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (PubChem CID 130314436) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
• PubChem CID: 130314436
• Molecular Formula: C23H22N2O4
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.16
• IUPAC Name: propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)c1ccccc1CC2
• InChI: InChI=1S/C23H22N2O4/c1-15(2)29-23(27)24-18-12-11-17-10-9-16-6-3-4-7-19(16)25(20(17)14-18)22(26)21-8-5-13-28-21/h3-8,11-15H,9-10H2,1-2H3,(H,24,27)
• InChIKey: UWNUQOJAOXISOY-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?

The IUPAC name of propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate (CID 130314436) is propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate.

What is the SMILES notation for propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?

The canonical SMILES for propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)c1ccccc1CC2.

What is the InChIKey of propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?

The InChIKey is UWNUQOJAOXISOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(2)29-23(27)24-18-12-11-17-10-9-16-6-3-4-7-19(16)25(20(17)14-18)22(26)21-8-5-13-28-21/h3-8,11-15H,9-10H2,1-2H3,(H,24,27).

What are the key properties of propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate?

propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[11-(furan-2-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate is sourced from PubChem (CID 130314436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).