2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H23NO2 — CID 4877513

IUPAC2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CCCc3ccccc32)c1C
InChIInChI=1S/C20H23NO2/c1-14-7-5-12-19(15(14)2)23-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13H2,1-2H3,(H,21,22)
InChIKeyQZXMGLVANUIMCT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.88
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4877513) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4877513
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CCCc3ccccc32)c1C
InChIInChI=1S/C20H23NO2/c1-14-7-5-12-19(15(14)2)23-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13H2,1-2H3,(H,21,22)
InChIKeyQZXMGLVANUIMCT-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4877513) is 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cc1cccc(OCC(=O)NC2CCCc3ccccc32)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QZXMGLVANUIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-7-5-12-19(15(14)2)23-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4877513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).