2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide

C22H20N2O6 — CID 110237091

IUPAC2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C22H20N2O6/c1-2-17-22(27)24(13-20(25)23-12-15-5-3-9-28-15)16-11-14(7-8-18(16)30-17)21(26)19-6-4-10-29-19/h3-11,17H,2,12-13H2,1H3,(H,23,25)
InChIKeyKYEHUVHUNKYMDK-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.92
Rot. Bonds7

About 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 110237091) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID110237091
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCC1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C22H20N2O6/c1-2-17-22(27)24(13-20(25)23-12-15-5-3-9-28-15)16-11-14(7-8-18(16)30-17)21(26)19-6-4-10-29-19/h3-11,17H,2,12-13H2,1H3,(H,23,25)
InChIKeyKYEHUVHUNKYMDK-UHFFFAOYSA-N
XLogP2.92
TPSA101.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46960545
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
N-(furan-2-ylmethyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53053398
N-(furan-2-ylmethyl)-2-[3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-1,4-benzoxazin-4-yl]acetamide
CID 42847085
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)propanamide
CID 4695006
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 3314566
2-ethyl-6-(hydroxymethyl)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 82338367
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033509
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 110237091) is 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide is CCC1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KYEHUVHUNKYMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-2-17-22(27)24(13-20(25)23-12-15-5-3-9-28-15)16-11-14(7-8-18(16)30-17)21(26)19-6-4-10-29-19/h3-11,17H,2,12-13H2,1H3,(H,23,25).
What are the key properties of 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 110237091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).