N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

C19H19NO4 — CID 1266090

IUPACN-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCC(C)C(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H19NO4/c1-12(2)18(21)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)
InChIKeyDVBPWONTJGAGQQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.55
Rot. Bonds4

About N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (PubChem CID 1266090) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.

Molecular Properties

Compound NameN-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
PubChem CID1266090
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCC(C)C(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C19H19NO4/c1-12(2)18(21)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,20,22)
InChIKeyDVBPWONTJGAGQQ-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5304575
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
CID 1242167
2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 5311859
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
4-methoxy-N-[7-(2-phenylacetyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 53338560
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzamide
CID 17018288
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide
CID 2969858
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzamide
CID 3286357
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide
CID 5297900
N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The IUPAC name of N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CID 1266090) is N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
What is the SMILES notation for N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The canonical SMILES for N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The InChIKey is DVBPWONTJGAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(2)18(21)14-10-16-17(24-9-8-23-16)11-15(14)20-19(22)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide has a molecular weight of 325.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is sourced from PubChem (CID 1266090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).