2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide

C17H16N2O3 — CID 110770558

IUPAC2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCC1Oc2ccc(CC(=O)Nc3ccccc3)cc2NC1=O
InChIInChI=1S/C17H16N2O3/c1-11-17(21)19-14-9-12(7-8-15(14)22-11)10-16(20)18-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLJVXMNBXXANKGK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.59
Rot. Bonds3

About 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide

2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (PubChem CID 110770558) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
PubChem CID110770558
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCC1Oc2ccc(CC(=O)Nc3ccccc3)cc2NC1=O
InChIInChI=1S/C17H16N2O3/c1-11-17(21)19-14-9-12(7-8-15(14)22-11)10-16(20)18-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyLJVXMNBXXANKGK-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770569
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-(2,3-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770570
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770609
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9145083
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288220
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The IUPAC name of 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (CID 110770558) is 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is CC1Oc2ccc(CC(=O)Nc3ccccc3)cc2NC1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The InChIKey is LJVXMNBXXANKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-17(21)19-14-9-12(7-8-15(14)22-11)10-16(20)18-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110770558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).