2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide

C20H17NO3 — CID 4235872

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-20(13-14-8-9-18-19(12-14)24-11-10-23-18)21-17-7-3-5-15-4-1-2-6-16(15)17/h1-9,12H,10-11,13H2,(H,21,22)
InChIKeyAXKWDEJAVZMITR-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide (PubChem CID 4235872) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
PubChem CID4235872
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-20(13-14-8-9-18-19(12-14)24-11-10-23-18)21-17-7-3-5-15-4-1-2-6-16(15)17/h1-9,12H,10-11,13H2,(H,21,22)
InChIKeyAXKWDEJAVZMITR-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
CID 110609698
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515849
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189844
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-naphthalen-1-ylacetamide
CID 9444756
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 9444757
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-2-methylphenyl)acetamide
CID 110612495

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide (CID 4235872) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is AXKWDEJAVZMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20(13-14-8-9-18-19(12-14)24-11-10-23-18)21-17-7-3-5-15-4-1-2-6-16(15)17/h1-9,12H,10-11,13H2,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 319.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4235872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).