N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide

C24H30N2O3 — CID 130314352

About N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide

N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide (PubChem CID 130314352) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide.

Molecular Properties

• Compound Name: N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide
• PubChem CID: 130314352
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide
• SMILES: CCCC(=O)Nc1ccc2c(c1)N(C(=O)COC(C)(C)C)c1ccccc1CC2
• InChI: InChI=1S/C24H30N2O3/c1-5-8-22(27)25-19-14-13-18-12-11-17-9-6-7-10-20(17)26(21(18)15-19)23(28)16-29-24(2,3)4/h6-7,9-10,13-15H,5,8,11-12,16H2,1-4H3,(H,25,27)
• InChIKey: CITOSFCPAJYPOT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide?

The IUPAC name of N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide (CID 130314352) is N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide.

What is the SMILES notation for N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide?

The canonical SMILES for N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)N(C(=O)COC(C)(C)C)c1ccccc1CC2.

What is the InChIKey of N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide?

The InChIKey is CITOSFCPAJYPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-8-22(27)25-19-14-13-18-12-11-17-9-6-7-10-20(17)26(21(18)15-19)23(28)16-29-24(2,3)4/h6-7,9-10,13-15H,5,8,11-12,16H2,1-4H3,(H,25,27).

What are the key properties of N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide?

N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-[2-[(2-methylpropan-2-yl)oxy]acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]butanamide is sourced from PubChem (CID 130314352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).