2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide

C25H27NO5 — CID 172658899

IUPAC2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(OC)c1-c1ccc2cc(OCC(=O)NCC3CCCO3)ccc2c1
InChIInChI=1S/C25H27NO5/c1-28-22-6-3-7-23(29-2)25(22)19-9-8-18-14-20(11-10-17(18)13-19)31-16-24(27)26-15-21-5-4-12-30-21/h3,6-11,13-14,21H,4-5,12,15-16H2,1-2H3,(H,26,27)
InChIKeyWKPZIIYNOKBASW-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.20
Rot. Bonds8

About 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide

2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 172658899) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
PubChem CID172658899
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(OC)c1-c1ccc2cc(OCC(=O)NCC3CCCO3)ccc2c1
InChIInChI=1S/C25H27NO5/c1-28-22-6-3-7-23(29-2)25(22)19-9-8-18-14-20(11-10-17(18)13-19)31-16-24(27)26-15-21-5-4-12-30-21/h3,6-11,13-14,21H,4-5,12,15-16H2,1-2H3,(H,26,27)
InChIKeyWKPZIIYNOKBASW-UHFFFAOYSA-N
XLogP4.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 5059346
2-[3-(3-methylbutoxy)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2324006
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
2-[[2-[(2,3-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163091491
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 4914850

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (CID 172658899) is 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide is COc1cccc(OC)c1-c1ccc2cc(OCC(=O)NCC3CCCO3)ccc2c1.
What is the InChIKey of 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WKPZIIYNOKBASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-28-22-6-3-7-23(29-2)25(22)19-9-8-18-14-20(11-10-17(18)13-19)31-16-24(27)26-15-21-5-4-12-30-21/h3,6-11,13-14,21H,4-5,12,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?
2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 421.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]oxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 172658899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).