4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide

C20H22N2O4 — CID 109044179

IUPAC4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13(2)21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-17-18(12-16)26-11-10-25-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPDWTVIIVERVQFX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.24
Rot. Bonds5

About 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide

4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide (PubChem CID 109044179) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
PubChem CID109044179
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O4/c1-3-13(2)21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-17-18(12-16)26-11-10-25-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPDWTVIIVERVQFX-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
CID 82122108
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
CID 2218416
N-(1,3-benzodioxol-5-yl)-5-(butan-2-ylamino)pyridine-3-carboxamide
CID 109225469
N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1059186
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide (CID 109044179) is 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The InChIKey is PDWTVIIVERVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-13(2)21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-17-18(12-16)26-11-10-25-17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).