N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C21H25NO3 — CID 100721805

IUPACN-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCOc1ccccc1CNC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C21H25NO3/c1-2-24-19-12-6-4-9-17(19)14-22-21(23)15-25-20-13-7-10-16-8-3-5-11-18(16)20/h4,6-7,9-10,12-13H,2-3,5,8,11,14-15H2,1H3,(H,22,23)
InChIKeyIXVLUFWWORXIKI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100721805) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100721805
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCOc1ccccc1CNC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C21H25NO3/c1-2-24-19-12-6-4-9-17(19)14-22-21(23)15-25-20-13-7-10-16-8-3-5-11-18(16)20/h4,6-7,9-10,12-13H,2-3,5,8,11,14-15H2,1H3,(H,22,23)
InChIKeyIXVLUFWWORXIKI-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100517831
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)acetamide
CID 53288654
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100721805) is N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is CCOc1ccccc1CNC(=O)COc1cccc2c1CCCC2.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is IXVLUFWWORXIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-24-19-12-6-4-9-17(19)14-22-21(23)15-25-20-13-7-10-16-8-3-5-11-18(16)20/h4,6-7,9-10,12-13H,2-3,5,8,11,14-15H2,1H3,(H,22,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100721805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).