(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate

C22H24N2O3 — CID 10155679

IUPAC(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C22H24N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,26)
InChIKeyBAGHAQWYMWAJHW-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.62
Rot. Bonds2

About (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate (PubChem CID 10155679) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
PubChem CID10155679
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
SMILESNC(=O)N1c2ccccc2CC(OC(=O)C2CCCCC2)c2ccccc21
InChIInChI=1S/C22H24N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,26)
InChIKeyBAGHAQWYMWAJHW-UHFFFAOYSA-N
XLogP4.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate?
The IUPAC name of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate (CID 10155679) is (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate.
What is the SMILES notation for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate?
The canonical SMILES for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate is NC(=O)N1c2ccccc2CC(OC(=O)C2CCCCC2)c2ccccc21.
What is the InChIKey of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate?
The InChIKey is BAGHAQWYMWAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c23-22(26)24-18-12-6-4-10-16(18)14-20(17-11-5-7-13-19(17)24)27-21(25)15-8-2-1-3-9-15/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,26).
What are the key properties of (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate?
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate is sourced from PubChem (CID 10155679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).