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

C20H23NO5 — CID 39921920

IUPACN-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1OC
InChIInChI=1S/C20H23NO5/c1-24-18-10-9-13(11-19(18)25-2)21-20(23)12-26-17-8-4-5-14-15(17)6-3-7-16(14)22/h4-5,8-11,16,22H,3,6-7,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOQFASDFGOFRYOM-INIZCTEOSA-N
MW357.41 g/mol
LogP3.09
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 39921920) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID39921920
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1OC
InChIInChI=1S/C20H23NO5/c1-24-18-10-9-13(11-19(18)25-2)21-20(23)12-26-17-8-4-5-14-15(17)6-3-7-16(14)22/h4-5,8-11,16,22H,3,6-7,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOQFASDFGOFRYOM-INIZCTEOSA-N
XLogP3.09
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921750
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921778
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
N-(2-cyanoethyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 60746799
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 41320127

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 39921920) is N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is COc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is OQFASDFGOFRYOM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-18-10-9-13(11-19(18)25-2)21-20(23)12-26-17-8-4-5-14-15(17)6-3-7-16(14)22/h4-5,8-11,16,22H,3,6-7,12H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 39921920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).