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

C18H18N2O4 — CID 110770336

IUPACN-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C18H18N2O4/c1-2-23-14-6-4-13(5-7-14)19-17(21)10-12-3-8-16-15(9-12)20-18(22)11-24-16/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBUBBNRJVUFRRQQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.60
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770336) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770336
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C18H18N2O4/c1-2-23-14-6-4-13(5-7-14)19-17(21)10-12-3-8-16-15(9-12)20-18(22)11-24-16/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBUBBNRJVUFRRQQ-UHFFFAOYSA-N
XLogP2.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770791
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
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-ethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 22551344
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethoxyphenyl)acetate
CID 22830641
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 110770336) is N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is CCOc1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is BUBBNRJVUFRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-23-14-6-4-13(5-7-14)19-17(21)10-12-3-8-16-15(9-12)20-18(22)11-24-16/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).