N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

C20H21NO5 — CID 39921754

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO5/c22-16-5-1-4-15-14(16)3-2-6-17(15)26-12-20(23)21-13-7-8-18-19(11-13)25-10-9-24-18/h2-3,6-8,11,16,22H,1,4-5,9-10,12H2,(H,21,23)/t16-/m0/s1
InChIKeyWMBMWQUUUOCFRS-INIZCTEOSA-N
MW355.39 g/mol
LogP2.85
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 39921754) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID39921754
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESO=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO5/c22-16-5-1-4-15-14(16)3-2-6-17(15)26-12-20(23)21-13-7-8-18-19(11-13)25-10-9-24-18/h2-3,6-8,11,16,22H,1,4-5,9-10,12H2,(H,21,23)/t16-/m0/s1
InChIKeyWMBMWQUUUOCFRS-INIZCTEOSA-N
XLogP2.85
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
N-(3,4-dimethoxyphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899628
N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899587
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921750
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 39921754) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is WMBMWQUUUOCFRS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21NO5/c22-16-5-1-4-15-14(16)3-2-6-17(15)26-12-20(23)21-13-7-8-18-19(11-13)25-10-9-24-18/h2-3,6-8,11,16,22H,1,4-5,9-10,12H2,(H,21,23)/t16-/m0/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 39921754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).