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

C22H18N2O3 — CID 46394437

IUPAC4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2O3)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-16-11-12-20-18(13-16)24(2)22(26)17-5-3-4-6-19(17)27-20/h3-13H,1-2H3,(H,23,25)
InChIKeyNPPSDPIKAXHLPL-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.63
Rot. Bonds2

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

4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide (PubChem CID 46394437) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
PubChem CID46394437
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2O3)cc1
InChIInChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-16-11-12-20-18(13-16)24(2)22(26)17-5-3-4-6-19(17)27-20/h3-13H,1-2H3,(H,23,25)
InChIKeyNPPSDPIKAXHLPL-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
CID 46394434
N-(3-methoxyphenyl)-5-methyl-6-oxobenzo[b][1,4]benzoxazepine-3-carboxamide
CID 53011985
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
CID 40947820
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide
CID 40947791
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
CID 18571314
[2-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)carbamoyl]phenyl] acetate
CID 40947157
5-methyl-6-oxo-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzoxazepine-3-carboxamide
CID 53132936
5-ethyl-6-oxo-N-[4-(trifluoromethyl)phenyl]benzo[b][1,4]benzoxazepine-3-carboxamide
CID 53132952
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzamide
CID 40947161
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-ethoxyacetamide
CID 40947814

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide (CID 46394437) is 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2O3)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide?
The InChIKey is NPPSDPIKAXHLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-7-9-15(10-8-14)21(25)23-16-11-12-20-18(13-16)24(2)22(26)17-5-3-4-6-19(17)27-20/h3-13H,1-2H3,(H,23,25).
What are the key properties of 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide?
4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide is sourced from PubChem (CID 46394437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).