N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide

C14H18N2O4 — CID 40887102

IUPACN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2
InChIInChI=1S/C14H18N2O4/c1-14(2)8-20-11-6-9(15-12(17)7-19-3)4-5-10(11)16-13(14)18/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQPKXQOFXFMOZCY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.63
Rot. Bonds3

About N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide

N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide (PubChem CID 40887102) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide
PubChem CID40887102
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2
InChIInChI=1S/C14H18N2O4/c1-14(2)8-20-11-6-9(15-12(17)7-19-3)4-5-10(11)16-13(14)18/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQPKXQOFXFMOZCY-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide?
The IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide (CID 40887102) is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2.
What is the InChIKey of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide?
The InChIKey is QPKXQOFXFMOZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)8-20-11-6-9(15-12(17)7-19-3)4-5-10(11)16-13(14)18/h4-6H,7-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide?
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide has a molecular weight of 278.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-methoxyacetamide is sourced from PubChem (CID 40887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).