N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide

C24H22N2O5 — CID 40947778

IUPACN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2
InChIInChI=1S/C24H22N2O5/c1-14-8-10-19-17(12-14)26(2)24(28)16-13-15(9-11-18(16)31-19)25-23(27)22-20(29-3)6-5-7-21(22)30-4/h5-13H,1-4H3,(H,25,27)
InChIKeyIORGIBJNAHZHKP-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.65
Rot. Bonds4

About N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide

N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide (PubChem CID 40947778) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide
PubChem CID40947778
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2
InChIInChI=1S/C24H22N2O5/c1-14-8-10-19-17(12-14)26(2)24(28)16-13-15(9-11-18(16)31-19)25-23(27)22-20(29-3)6-5-7-21(22)30-4/h5-13H,1-4H3,(H,25,27)
InChIKeyIORGIBJNAHZHKP-UHFFFAOYSA-N
XLogP4.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide (CID 40947778) is N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2.
What is the InChIKey of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide?
The InChIKey is IORGIBJNAHZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-14-8-10-19-17(12-14)26(2)24(28)16-13-15(9-11-18(16)31-19)25-23(27)22-20(29-3)6-5-7-21(22)30-4/h5-13H,1-4H3,(H,25,27).
What are the key properties of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide?
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide has a molecular weight of 418.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 40947778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).