N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide

C21H21NO4 — CID 55577770

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1cc(CNC(=O)COc2ccc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C21H21NO4/c1-24-19-9-15(10-20(12-19)25-2)13-22-21(23)14-26-18-8-7-16-5-3-4-6-17(16)11-18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyXXIOKORAWYZDAW-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.55
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide

N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 55577770) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID55577770
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1cc(CNC(=O)COc2ccc3ccccc3c2)cc(OC)c1
InChIInChI=1S/C21H21NO4/c1-24-19-9-15(10-20(12-19)25-2)13-22-21(23)14-26-18-8-7-16-5-3-4-6-17(16)11-18/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyXXIOKORAWYZDAW-UHFFFAOYSA-N
XLogP3.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 18167335
2-naphthalen-2-yloxy-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 7583241
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7652672
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide (CID 55577770) is N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide is COc1cc(CNC(=O)COc2ccc3ccccc3c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is XXIOKORAWYZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-19-9-15(10-20(12-19)25-2)13-22-21(23)14-26-18-8-7-16-5-3-4-6-17(16)11-18/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 55577770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).