N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide

C18H18N2O4 — CID 110639900

IUPACN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
SMILESCC(=O)N1CCOc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O4/c1-13(21)20-9-10-23-17-11-14(7-8-16(17)20)19-18(22)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,22)
InChIKeyZEWQZQJAEBNMRO-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.45
Rot. Bonds4

About N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide (PubChem CID 110639900) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
PubChem CID110639900
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
SMILESCC(=O)N1CCOc2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O4/c1-13(21)20-9-10-23-17-11-14(7-8-16(17)20)19-18(22)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,22)
InChIKeyZEWQZQJAEBNMRO-UHFFFAOYSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-phenylpropanamide
CID 110639899
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
CID 110715051
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826908
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,1-diethylurea
CID 110639935
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-ethylphenyl)propanamide
CID 110639944
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-bromobenzamide
CID 110639876
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-propan-2-ylurea
CID 110747560
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-chlorophenyl)urea
CID 110639908

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide (CID 110639900) is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide is CC(=O)N1CCOc2cc(NC(=O)COc3ccccc3)ccc21.
What is the InChIKey of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide?
The InChIKey is ZEWQZQJAEBNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-13(21)20-9-10-23-17-11-14(7-8-16(17)20)19-18(22)12-24-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide?
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide has a molecular weight of 326.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide is sourced from PubChem (CID 110639900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).