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

C22H27NO3 — CID 42899618

IUPACN-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cccc2c1CCCC2O
InChIInChI=1S/C22H27NO3/c1-3-15-8-5-9-16(4-2)22(15)23-21(25)14-26-20-13-7-10-17-18(20)11-6-12-19(17)24/h5,7-10,13,19,24H,3-4,6,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNYPITNQEJGWJPP-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.20
Rot. Bonds6

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

N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (PubChem CID 42899618) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
PubChem CID42899618
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cccc2c1CCCC2O
InChIInChI=1S/C22H27NO3/c1-3-15-8-5-9-16(4-2)22(15)23-21(25)14-26-20-13-7-10-17-18(20)11-6-12-19(17)24/h5,7-10,13,19,24H,3-4,6,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNYPITNQEJGWJPP-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
N-(3,4-dimethoxyphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899628
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 41320127
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
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
N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921778
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (CID 42899618) is N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is CCc1cccc(CC)c1NC(=O)COc1cccc2c1CCCC2O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The InChIKey is NYPITNQEJGWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-15-8-5-9-16(4-2)22(15)23-21(25)14-26-20-13-7-10-17-18(20)11-6-12-19(17)24/h5,7-10,13,19,24H,3-4,6,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide has a molecular weight of 353.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is sourced from PubChem (CID 42899618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).