N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C18H16N2O4 — CID 110770345

IUPACN-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C18H16N2O4/c1-11(21)13-3-2-4-14(9-13)19-17(22)8-12-5-6-16-15(7-12)20-18(23)10-24-16/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyTXQDEPZMYSWNOF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.40
Rot. Bonds4

About N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770345) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770345
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C18H16N2O4/c1-11(21)13-3-2-4-14(9-13)19-17(22)8-12-5-6-16-15(7-12)20-18(23)10-24-16/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyTXQDEPZMYSWNOF-UHFFFAOYSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(4-acetylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770796
N-(3-acetylphenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768505
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
N-(3-acetylphenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 20909941
[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 138041946

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110770345) is N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is TXQDEPZMYSWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)13-3-2-4-14(9-13)19-17(22)8-12-5-6-16-15(7-12)20-18(23)10-24-16/h2-7,9H,8,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).