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

C20H23NO5 — CID 39921750

IUPACN-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-13-9-10-16(19(11-13)25-2)21-20(23)12-26-18-8-4-5-14-15(18)6-3-7-17(14)22/h4-5,8-11,17,22H,3,6-7,12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyBWYIHCVNDJMKIQ-KRWDZBQOSA-N
MW357.41 g/mol
LogP3.09
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 39921750) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID39921750
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-24-13-9-10-16(19(11-13)25-2)21-20(23)12-26-18-8-4-5-14-15(18)6-3-7-17(14)22/h4-5,8-11,17,22H,3,6-7,12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyBWYIHCVNDJMKIQ-KRWDZBQOSA-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-[[(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-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
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-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
2-(2-acetamido-5-acetylphenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 24534009
4-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397323

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 39921750) is N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is COc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is BWYIHCVNDJMKIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-13-9-10-16(19(11-13)25-2)21-20(23)12-26-18-8-4-5-14-15(18)6-3-7-17(14)22/h4-5,8-11,17,22H,3,6-7,12H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
N-(2,4-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-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 39921750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).