2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide

C19H20N2O5 — CID 40957974

IUPAC2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-21-8-9-26-16-7-4-12(10-15(16)19(21)23)20-18(22)14-6-5-13(24-2)11-17(14)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyDTRYZIIRFMTAON-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.42
Rot. Bonds4

About 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide

2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide (PubChem CID 40957974) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
PubChem CID40957974
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-21-8-9-26-16-7-4-12(10-15(16)19(21)23)20-18(22)14-6-5-13(24-2)11-17(14)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyDTRYZIIRFMTAON-UHFFFAOYSA-N
XLogP2.42
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide 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 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide (CID 40957974) is 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The InChIKey is DTRYZIIRFMTAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21-8-9-26-16-7-4-12(10-15(16)19(21)23)20-18(22)14-6-5-13(24-2)11-17(14)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,22).
What are the key properties of 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide is sourced from PubChem (CID 40957974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).