2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

C20H25NO2 — CID 112977555

IUPAC2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-15-8-10-16(11-9-15)13-21-19(22)14-23-18-7-5-6-17(12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyCGYOZLIJRIDCND-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.99
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 112977555) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID112977555
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-15-8-10-16(11-9-15)13-21-19(22)14-23-18-7-5-6-17(12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyCGYOZLIJRIDCND-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 112977555) is 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is CGYOZLIJRIDCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-8-10-16(11-9-15)13-21-19(22)14-23-18-7-5-6-17(12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112977555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).