5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide

C27H26N2O3 — CID 132527579

IUPAC5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C27H26N2O3/c30-26(28-20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)29(25)27(31)19-11-3-1-4-12-19/h1,3-4,7-12,15-18,20,25H,2,5-6,13-14H2,(H,28,30)
InChIKeyJLYCMYKODRFEMH-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.63
Rot. Bonds3

About 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide

5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide (PubChem CID 132527579) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide.

Molecular Properties

Compound Name5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide
PubChem CID132527579
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C27H26N2O3/c30-26(28-20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)29(25)27(31)19-11-3-1-4-12-19/h1,3-4,7-12,15-18,20,25H,2,5-6,13-14H2,(H,28,30)
InChIKeyJLYCMYKODRFEMH-UHFFFAOYSA-N
XLogP5.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-(1-cyclooctyl-1-methylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide
CID 101004268
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
(2S,5R)-N-cyclohexyl-2-(2-methylpropyl)-4-propanoyl-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxamide
CID 102111305
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-(4-cyclohexylcyclooctyl)benzamide
CID 166761299
N-(1-cyclooctyl-1-ethylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide
CID 101004267
(2S)-N-cyclohexyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93490151

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide?
The IUPAC name of 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide (CID 132527579) is 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide.
What is the SMILES notation for 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide?
The canonical SMILES for 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide is O=C(NC1CCCCC1)C1c2ccccc2Oc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide?
The InChIKey is JLYCMYKODRFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-26(28-20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)29(25)27(31)19-11-3-1-4-12-19/h1,3-4,7-12,15-18,20,25H,2,5-6,13-14H2,(H,28,30).
What are the key properties of 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide?
5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-N-cyclohexyl-6H-benzo[b][1,4]benzoxazepine-6-carboxamide is sourced from PubChem (CID 132527579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).