2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride

C15H20ClN3O4 — CID 175596465

IUPAC2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride
SMILESCN1C(=O)C(N)COc2ccc(OC(C(N)=O)C3CC3)cc21.Cl
InChIInChI=1S/C15H19N3O4.ClH/c1-18-11-6-9(22-13(14(17)19)8-2-3-8)4-5-12(11)21-7-10(16)15(18)20;/h4-6,8,10,13H,2-3,7,16H2,1H3,(H2,17,19);1H
InChIKeyXOFSPZXYKXNJEM-UHFFFAOYSA-N
MW341.80 g/mol
LogP0.43
Rot. Bonds4

About 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride

2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride (PubChem CID 175596465) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride
PubChem CID175596465
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride
SMILESCN1C(=O)C(N)COc2ccc(OC(C(N)=O)C3CC3)cc21.Cl
InChIInChI=1S/C15H19N3O4.ClH/c1-18-11-6-9(22-13(14(17)19)8-2-3-8)4-5-12(11)21-7-10(16)15(18)20;/h4-6,8,10,13H,2-3,7,16H2,1H3,(H2,17,19);1H
InChIKeyXOFSPZXYKXNJEM-UHFFFAOYSA-N
XLogP0.43
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride?
The IUPAC name of 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride (CID 175596465) is 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride is CN1C(=O)C(N)COc2ccc(OC(C(N)=O)C3CC3)cc21.Cl.
What is the InChIKey of 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride?
The InChIKey is XOFSPZXYKXNJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4.ClH/c1-18-11-6-9(22-13(14(17)19)8-2-3-8)4-5-12(11)21-7-10(16)15(18)20;/h4-6,8,10,13H,2-3,7,16H2,1H3,(H2,17,19);1H.
What are the key properties of 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride?
2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)oxy]-2-cyclopropylacetamide;hydrochloride is sourced from PubChem (CID 175596465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).