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

C24H22N2O5 — CID 40947820

IUPACN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1OC
InChIInChI=1S/C24H22N2O5/c1-14-5-8-20-18(11-14)26(2)24(28)17-13-16(7-10-19(17)31-20)25-23(27)15-6-9-21(29-3)22(12-15)30-4/h5-13H,1-4H3,(H,25,27)
InChIKeyWRVUAUDUYILTME-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.65
Rot. Bonds4

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

N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide (PubChem CID 40947820) 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)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
PubChem CID40947820
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC NameN-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1OC
InChIInChI=1S/C24H22N2O5/c1-14-5-8-20-18(11-14)26(2)24(28)17-13-16(7-10-19(17)31-20)25-23(27)15-6-9-21(29-3)22(12-15)30-4/h5-13H,1-4H3,(H,25,27)
InChIKeyWRVUAUDUYILTME-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

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Related Compounds

4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
CID 46394437
5-(2,5-dimethoxyphenyl)-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)pyrazolidine-3-carboxamide
CID 75272976
2-(3,4-dimethoxyphenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947176
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)-1-(2-methoxyphenyl)methanesulfonamide
CID 40889432
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
[2-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)carbamoyl]phenyl] acetate
CID 40947157
3,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 3157286
3,4-dimethoxy-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 18571406
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide (CID 40947820) is N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1OC.
What is the InChIKey of N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-dimethoxybenzamide?
The InChIKey is WRVUAUDUYILTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-14-5-8-20-18(11-14)26(2)24(28)17-13-16(7-10-19(17)31-20)25-23(27)15-6-9-21(29-3)22(12-15)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)-3,4-dimethoxybenzamide?
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3,4-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)-3,4-dimethoxybenzamide is sourced from PubChem (CID 40947820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).