3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide

C22H24N2O3 — CID 20933383

IUPAC3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide
SMILESCN1C(=O)c2cc(NC(=O)CCC3CCCC3)ccc2Oc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-24-18-8-4-5-9-20(18)27-19-12-11-16(14-17(19)22(24)26)23-21(25)13-10-15-6-2-3-7-15/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13H2,1H3,(H,23,25)
InChIKeyIMGFFJGSMPJABG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.98
Rot. Bonds4

About 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide

3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide (PubChem CID 20933383) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide
PubChem CID20933383
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide
SMILESCN1C(=O)c2cc(NC(=O)CCC3CCCC3)ccc2Oc2ccccc21
InChIInChI=1S/C22H24N2O3/c1-24-18-8-4-5-9-20(18)27-19-12-11-16(14-17(19)22(24)26)23-21(25)13-10-15-6-2-3-7-15/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13H2,1H3,(H,23,25)
InChIKeyIMGFFJGSMPJABG-UHFFFAOYSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
N-[4-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)sulfamoyl]phenyl]butanamide
CID 40889009
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)adamantane-1-carboxamide
CID 18571312
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-cyclopentylpropanamide
CID 40947608
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzamide
CID 40947161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
CID 40947814
ethyl (6R)-6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7337798

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide (CID 20933383) is 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide is CN1C(=O)c2cc(NC(=O)CCC3CCCC3)ccc2Oc2ccccc21.
What is the InChIKey of 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide?
The InChIKey is IMGFFJGSMPJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24-18-8-4-5-9-20(18)27-19-12-11-16(14-17(19)22(24)26)23-21(25)13-10-15-6-2-3-7-15/h4-5,8-9,11-12,14-15H,2-3,6-7,10,13H2,1H3,(H,23,25).
What are the key properties of 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide?
3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)propanamide is sourced from PubChem (CID 20933383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).