N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C21H25NO3 — CID 17093218

IUPACN-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H25NO3/c1-5-21(3,4)17-9-11-19(12-10-17)25-14-20(24)22-18-8-6-7-16(13-18)15(2)23/h6-13H,5,14H2,1-4H3,(H,22,24)
InChIKeyJTOKMQODVNKILX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.59
Rot. Bonds7

About N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17093218) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17093218
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H25NO3/c1-5-21(3,4)17-9-11-19(12-10-17)25-14-20(24)22-18-8-6-7-16(13-18)15(2)23/h6-13H,5,14H2,1-4H3,(H,22,24)
InChIKeyJTOKMQODVNKILX-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17233162
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17093314
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17018603
ethyl 3-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]benzoate
CID 19170913

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17093218) is N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is JTOKMQODVNKILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-21(3,4)17-9-11-19(12-10-17)25-14-20(24)22-18-8-6-7-16(13-18)15(2)23/h6-13H,5,14H2,1-4H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17093218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).