2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C20H21NO3 — CID 26515849

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H21NO3/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/h3,5,7-9,12H,1-2,4,6,10-11,13H2,(H,21,22)
InChIKeyFQQRUQUWCPHCCZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 26515849) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID26515849
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2
InChIInChI=1S/C20H21NO3/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/h3,5,7-9,12H,1-2,4,6,10-11,13H2,(H,21,22)
InChIKeyFQQRUQUWCPHCCZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24650822
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-(2-tert-butylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7688641
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
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-(5-ethyl-2-methylphenyl)acetamide
CID 110612495
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)acetamide
CID 110609698
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 26515849) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FQQRUQUWCPHCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/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/h3,5,7-9,12H,1-2,4,6,10-11,13H2,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.52, 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-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 26515849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).