N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

C19H20N2O3 — CID 53037348

IUPACN-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2COc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-12-7-8-15(13(2)9-12)20-18(22)10-14-11-24-17-6-4-3-5-16(17)21-19(14)23/h3-9,14H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQVZYWEZHXAJPRP-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.28
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (PubChem CID 53037348) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
PubChem CID53037348
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2COc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-12-7-8-15(13(2)9-12)20-18(22)10-14-11-24-17-6-4-3-5-16(17)21-19(14)23/h3-9,14H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQVZYWEZHXAJPRP-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (CID 53037348) is N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is Cc1ccc(NC(=O)CC2COc3ccccc3NC2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The InChIKey is QVZYWEZHXAJPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-8-15(13(2)9-12)20-18(22)10-14-11-24-17-6-4-3-5-16(17)21-19(14)23/h3-9,14H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is sourced from PubChem (CID 53037348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).