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

C19H20N2O4 — CID 110770888

IUPACN-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)CCO3)c1
InChIInChI=1S/C19H20N2O4/c1-21-16-10-13(6-7-17(16)25-9-8-19(21)23)11-18(22)20-14-4-3-5-15(12-14)24-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyOBOPCUYHMRGSBF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide (PubChem CID 110770888) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
PubChem CID110770888
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)CCO3)c1
InChIInChI=1S/C19H20N2O4/c1-21-16-10-13(6-7-17(16)25-9-8-19(21)23)11-18(22)20-14-4-3-5-15(12-14)24-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,22)
InChIKeyOBOPCUYHMRGSBF-UHFFFAOYSA-N
XLogP2.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 25163748
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
CID 110770822
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783886
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 31379931
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide (CID 110770888) is N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide is COc1cccc(NC(=O)Cc2ccc3c(c2)N(C)C(=O)CCO3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The InChIKey is OBOPCUYHMRGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-16-10-13(6-7-17(16)25-9-8-19(21)23)11-18(22)20-14-4-3-5-15(12-14)24-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide is sourced from PubChem (CID 110770888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).