2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide

C20H19NO4 — CID 19621778

IUPAC2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO4/c1-24-19-11-14(12-22)9-10-18(19)25-13-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-11,22H,12-13H2,1H3,(H,21,23)
InChIKeyWXGDTFXAFNZGHE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.36
Rot. Bonds6

About 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide

2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 19621778) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
PubChem CID19621778
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
SMILESCOc1cc(CO)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO4/c1-24-19-11-14(12-22)9-10-18(19)25-13-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-11,22H,12-13H2,1H3,(H,21,23)
InChIKeyWXGDTFXAFNZGHE-UHFFFAOYSA-N
XLogP3.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide (CID 19621778) is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide is COc1cc(CO)ccc1OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is WXGDTFXAFNZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-19-11-14(12-22)9-10-18(19)25-13-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-11,22H,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 19621778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).