N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

C20H20N2O5 — CID 43816330

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H20N2O5/c1-12(2)19-20(24)22(14-5-3-4-6-15(14)27-19)10-18(23)21-13-7-8-16-17(9-13)26-11-25-16/h3-9,12,19H,10-11H2,1-2H3,(H,21,23)
InChIKeyVVOMTAVUVFZXAL-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.80
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (PubChem CID 43816330) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
PubChem CID43816330
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H20N2O5/c1-12(2)19-20(24)22(14-5-3-4-6-15(14)27-19)10-18(23)21-13-7-8-16-17(9-13)26-11-25-16/h3-9,12,19H,10-11H2,1-2H3,(H,21,23)
InChIKeyVVOMTAVUVFZXAL-UHFFFAOYSA-N
XLogP2.80
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[(2S)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide;molecular hydrogen
CID 158541982
N-(1,3-benzodioxol-5-yl)-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4160363
N-(1,3-benzodioxol-5-yl)-2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148327
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132242
N-(1,3-benzodioxol-5-yl)-2-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzamide
CID 16572656
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 127347117
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3225047
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807425
N-(1,3-benzodioxol-5-yl)-2-[(3S)-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95996099
N-(1,3-benzodioxol-5-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2369441

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (CID 43816330) is N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is CC(C)C1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is VVOMTAVUVFZXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12(2)19-20(24)22(14-5-3-4-6-15(14)27-19)10-18(23)21-13-7-8-16-17(9-13)26-11-25-16/h3-9,12,19H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 43816330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).