2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide

C19H20N2O4 — CID 653285

IUPAC2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O
InChIInChI=1S/C19H20N2O4/c1-3-15-19(23)21(14-9-5-7-11-17(14)25-15)12-18(22)20-13-8-4-6-10-16(13)24-2/h4-11,15H,3,12H2,1-2H3,(H,20,22)
InChIKeyXIIBXQQWFGUIHF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 653285) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID653285
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCC1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O
InChIInChI=1S/C19H20N2O4/c1-3-15-19(23)21(14-9-5-7-11-17(14)25-15)12-18(22)20-13-8-4-6-10-16(13)24-2/h4-11,15H,3,12H2,1-2H3,(H,20,22)
InChIKeyXIIBXQQWFGUIHF-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51686732
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 1086609
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-propoxyphenyl)acetamide
CID 17410983
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 3224987
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42914286
(2R)-2,4-diethyl-1,4-benzoxazin-3-one
CID 140970605

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide (CID 653285) is 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide is CCC1Oc2ccccc2N(CC(=O)Nc2ccccc2OC)C1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is XIIBXQQWFGUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-15-19(23)21(14-9-5-7-11-17(14)25-15)12-18(22)20-13-8-4-6-10-16(13)24-2/h4-11,15H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide?
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 653285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).