N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide

C21H21NO3 — CID 26181291

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccccc1CCNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-24-20-9-5-4-7-17(20)12-13-22-21(23)15-25-19-11-10-16-6-2-3-8-18(16)14-19/h2-11,14H,12-13,15H2,1H3,(H,22,23)
InChIKeyODKIHALAHUTTKE-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide

N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 26181291) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID26181291
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCOc1ccccc1CCNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-24-20-9-5-4-7-17(20)12-13-22-21(23)15-25-19-11-10-16-6-2-3-8-18(16)14-19/h2-11,14H,12-13,15H2,1H3,(H,22,23)
InChIKeyODKIHALAHUTTKE-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide (CID 26181291) is N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide is COc1ccccc1CCNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is ODKIHALAHUTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-20-9-5-4-7-17(20)12-13-22-21(23)15-25-19-11-10-16-6-2-3-8-18(16)14-19/h2-11,14H,12-13,15H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 335.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 26181291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).