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

C18H17NO4 — CID 769170

IUPACN-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C18H17NO4/c1-2-15(20)13-10-16-17(23-9-8-22-16)11-14(13)19-18(21)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21)
InChIKeyQKBNPRMECRQFOQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.30
Rot. Bonds4

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

N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 769170) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound NameN-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID769170
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C18H17NO4/c1-2-15(20)13-10-16-17(23-9-8-22-16)11-14(13)19-18(21)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21)
InChIKeyQKBNPRMECRQFOQ-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 769170) is N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is QKBNPRMECRQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-15(20)13-10-16-17(23-9-8-22-16)11-14(13)19-18(21)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21).
What are the key properties of N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 769170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).