2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

C21H27NO2 — CID 46761744

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-21(3,4)18-10-12-19(13-11-18)24-15-20(23)22-14-17-8-6-16(2)7-9-17/h6-13H,5,14-15H2,1-4H3,(H,22,23)
InChIKeyTVFCTFUNMWZEKF-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.38
Rot. Bonds7

About 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46761744) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46761744
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-21(3,4)18-10-12-19(13-11-18)24-15-20(23)22-14-17-8-6-16(2)7-9-17/h6-13H,5,14-15H2,1-4H3,(H,22,23)
InChIKeyTVFCTFUNMWZEKF-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
N-hexadecyl-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 46761744) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is CCC(C)(C)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is TVFCTFUNMWZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-21(3,4)18-10-12-19(13-11-18)24-15-20(23)22-14-17-8-6-16(2)7-9-17/h6-13H,5,14-15H2,1-4H3,(H,22,23).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46761744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).