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

C20H19NO4 — CID 25249348

IUPACN-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)C1CC1)OCCO2
InChIInChI=1S/C20H19NO4/c22-19(10-13-4-2-1-3-5-13)21-16-12-18-17(24-8-9-25-18)11-15(16)20(23)14-6-7-14/h1-5,11-12,14H,6-10H2,(H,21,22)
InChIKeyDVTHMJZUNYCMAV-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.23
Rot. Bonds5

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

N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide (PubChem CID 25249348) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
PubChem CID25249348
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)C1CC1)OCCO2
InChIInChI=1S/C20H19NO4/c22-19(10-13-4-2-1-3-5-13)21-16-12-18-17(24-8-9-25-18)11-15(16)20(23)14-6-7-14/h1-5,11-12,14H,6-10H2,(H,21,22)
InChIKeyDVTHMJZUNYCMAV-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide?
The IUPAC name of N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide (CID 25249348) is N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide.
What is the SMILES notation for N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide?
The canonical SMILES for N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)C1CC1)OCCO2.
What is the InChIKey of N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide?
The InChIKey is DVTHMJZUNYCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-19(10-13-4-2-1-3-5-13)21-16-12-18-17(24-8-9-25-18)11-15(16)20(23)14-6-7-14/h1-5,11-12,14H,6-10H2,(H,21,22).
What are the key properties of N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide?
N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-phenylacetamide is sourced from PubChem (CID 25249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).