N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide

C24H22N2O3 — CID 110404491

IUPACN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
SMILESCN1C(=O)C(CNC(=O)C(c2ccccc2)c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H22N2O3/c1-26-19-14-8-9-15-20(19)29-21(24(26)28)16-25-23(27)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3,(H,25,27)
InChIKeyGJCWZIJKMOCWEZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide (PubChem CID 110404491) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
PubChem CID110404491
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
SMILESCN1C(=O)C(CNC(=O)C(c2ccccc2)c2ccccc2)Oc2ccccc21
InChIInChI=1S/C24H22N2O3/c1-26-19-14-8-9-15-20(19)29-21(24(26)28)16-25-23(27)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3,(H,25,27)
InChIKeyGJCWZIJKMOCWEZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
1-(4-chlorophenyl)-3-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]urea
CID 110404511
2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404522
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
3-[(2S)-4-methyl-3-oxo-1,4-benzoxazin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170167760
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
N-[[(2S)-oxiran-2-yl]methyl]-2,2-diphenylacetamide
CID 97180818
2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110383322

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide (CID 110404491) is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide is CN1C(=O)C(CNC(=O)C(c2ccccc2)c2ccccc2)Oc2ccccc21.
What is the InChIKey of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide?
The InChIKey is GJCWZIJKMOCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-26-19-14-8-9-15-20(19)29-21(24(26)28)16-25-23(27)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3,(H,25,27).
What are the key properties of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide?
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide has a molecular weight of 386.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 110404491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).