1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone

C22H24N2O — CID 744086

IUPAC1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone
SMILESO=C(CNC1CCCCC1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C22H24N2O/c25-22(16-23-19-10-2-1-3-11-19)24-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)24/h4-9,12-15,19,23H,1-3,10-11,16H2
InChIKeyYHKBDMUMPGOTMG-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.76
Rot. Bonds3

About 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone

1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone (PubChem CID 744086) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone.

Molecular Properties

Compound Name1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone
PubChem CID744086
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone
SMILESO=C(CNC1CCCCC1)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C22H24N2O/c25-22(16-23-19-10-2-1-3-11-19)24-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)24/h4-9,12-15,19,23H,1-3,10-11,16H2
InChIKeyYHKBDMUMPGOTMG-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-phenothiazin-10-ylethanone
CID 27026630
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(cyclopentylamino)ethanone
CID 60947722
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560

Frequently Asked Questions

What is the IUPAC name of 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone?
The IUPAC name of 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone (CID 744086) is 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone.
What is the SMILES notation for 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone?
The canonical SMILES for 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone is O=C(CNC1CCCCC1)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone?
The InChIKey is YHKBDMUMPGOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-22(16-23-19-10-2-1-3-11-19)24-20-12-6-4-8-17(20)14-15-18-9-5-7-13-21(18)24/h4-9,12-15,19,23H,1-3,10-11,16H2.
What are the key properties of 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone?
1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone has a molecular weight of 332.45 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[b][1]benzazepin-11-yl-2-(cyclohexylamino)ethanone is sourced from PubChem (CID 744086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).