2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide

C21H21NO3 — CID 78851833

IUPAC2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO3/c1-24-18-10-11-20(25-2)17(12-18)13-21(23)22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeySWMVDZSLENVMAO-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.72
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide

2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 78851833) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID78851833
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO3/c1-24-18-10-11-20(25-2)17(12-18)13-21(23)22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeySWMVDZSLENVMAO-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide (CID 78851833) is 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide is COc1ccc(OC)c(CC(=O)NCc2cccc3ccccc23)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is SWMVDZSLENVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-18-10-11-20(25-2)17(12-18)13-21(23)22-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide?
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 78851833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).