4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C19H19NO4 — CID 737908

IUPAC4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2
InChIInChI=1S/C19H19NO4/c1-3-16(21)14-10-17-18(24-9-8-23-17)11-15(14)20-19(22)13-6-4-12(2)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyWQWNZCSCACYEKC-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.61
Rot. Bonds4

About 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 737908) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID737908
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2
InChIInChI=1S/C19H19NO4/c1-3-16(21)14-10-17-18(24-9-8-23-17)11-15(14)20-19(22)13-6-4-12(2)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyWQWNZCSCACYEKC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 737908) is 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is CCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2.
What is the InChIKey of 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is WQWNZCSCACYEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-16(21)14-10-17-18(24-9-8-23-17)11-15(14)20-19(22)13-6-4-12(2)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 325.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 737908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).