N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide

C18H21NO2 — CID 74929448

IUPACN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide
SMILESCC(=O)NC(COc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-7-9-14(2)18(13)21-12-17(19-15(3)20)16-10-5-4-6-11-16/h4-11,17H,12H2,1-3H3,(H,19,20)
InChIKeyBJCQYMDMEVVUTF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide

N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide (PubChem CID 74929448) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide
PubChem CID74929448
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide
SMILESCC(=O)NC(COc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-13-8-7-9-14(2)18(13)21-12-17(19-15(3)20)16-10-5-4-6-11-16/h4-11,17H,12H2,1-3H3,(H,19,20)
InChIKeyBJCQYMDMEVVUTF-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide (CID 74929448) is N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide is CC(=O)NC(COc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide?
The InChIKey is BJCQYMDMEVVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-7-9-14(2)18(13)21-12-17(19-15(3)20)16-10-5-4-6-11-16/h4-11,17H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide?
N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide is sourced from PubChem (CID 74929448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).