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

C21H25NO2 — CID 4879886

IUPAC2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(2)17-10-5-6-13-20(17)24-14-21(23)22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15,19H,7,9,12,14H2,1-2H3,(H,22,23)
InChIKeyFTSMFYCOJXCORG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.38
Rot. Bonds5

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

2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4879886) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4879886
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C21H25NO2/c1-15(2)17-10-5-6-13-20(17)24-14-21(23)22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15,19H,7,9,12,14H2,1-2H3,(H,22,23)
InChIKeyFTSMFYCOJXCORG-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4879886) is 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FTSMFYCOJXCORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(2)17-10-5-6-13-20(17)24-14-21(23)22-19-12-7-9-16-8-3-4-11-18(16)19/h3-6,8,10-11,13,15,19H,7,9,12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4879886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).