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

C23H31NO3 — CID 17093314

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31NO3/c1-6-23(4,5)18-10-12-20(13-11-18)27-16-22(25)24-19-8-7-9-21(14-19)26-15-17(2)3/h7-14,17H,6,15-16H2,1-5H3,(H,24,25)
InChIKeyOHAYWMXTJOQPPJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.43
Rot. Bonds9

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

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 17093314) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID17093314
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31NO3/c1-6-23(4,5)18-10-12-20(13-11-18)27-16-22(25)24-19-8-7-9-21(14-19)26-15-17(2)3/h7-14,17H,6,15-16H2,1-5H3,(H,24,25)
InChIKeyOHAYWMXTJOQPPJ-UHFFFAOYSA-N
XLogP5.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
N-methyl-3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17233162
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093194
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
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 17093314) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is OHAYWMXTJOQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-6-23(4,5)18-10-12-20(13-11-18)27-16-22(25)24-19-8-7-9-21(14-19)26-15-17(2)3/h7-14,17H,6,15-16H2,1-5H3,(H,24,25).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17093314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).