pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate

C20H24N2O2 — CID 154131640

IUPACpentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate
SMILESCCCCCOC(=O)NC1Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-2-3-8-13-24-20(23)22-19-14-15-9-4-6-11-17(15)21-18-12-7-5-10-16(18)19/h4-7,9-12,19,21H,2-3,8,13-14H2,1H3,(H,22,23)
InChIKeyFMWUJTZLEZNIFY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.94
Rot. Bonds5

About pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate

pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate (PubChem CID 154131640) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate.

Molecular Properties

Compound Namepentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate
PubChem CID154131640
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namepentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate
SMILESCCCCCOC(=O)NC1Cc2ccccc2Nc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-2-3-8-13-24-20(23)22-19-14-15-9-4-6-11-17(15)21-18-12-7-5-10-16(18)19/h4-7,9-12,19,21H,2-3,8,13-14H2,1H3,(H,22,23)
InChIKeyFMWUJTZLEZNIFY-UHFFFAOYSA-N
XLogP4.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate?
The IUPAC name of pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate (CID 154131640) is pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate.
What is the SMILES notation for pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate?
The canonical SMILES for pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate is CCCCCOC(=O)NC1Cc2ccccc2Nc2ccccc21.
What is the InChIKey of pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate?
The InChIKey is FMWUJTZLEZNIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-8-13-24-20(23)22-19-14-15-9-4-6-11-17(15)21-18-12-7-5-10-16(18)19/h4-7,9-12,19,21H,2-3,8,13-14H2,1H3,(H,22,23).
What are the key properties of pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate?
pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-5-yl)carbamate is sourced from PubChem (CID 154131640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).