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

C25H28N2O2 — CID 17093194

IUPACN-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-4-25(2,3)19-10-16-23(17-11-19)29-18-24(28)27-22-14-12-21(13-15-22)26-20-8-6-5-7-9-20/h5-17,26H,4,18H2,1-3H3,(H,27,28)
InChIKeyAEVFWQDSXYKFHB-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.14
Rot. Bonds8

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

N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17093194) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17093194
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-4-25(2,3)19-10-16-23(17-11-19)29-18-24(28)27-22-14-12-21(13-15-22)26-20-8-6-5-7-9-20/h5-17,26H,4,18H2,1-3H3,(H,27,28)
InChIKeyAEVFWQDSXYKFHB-UHFFFAOYSA-N
XLogP6.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-(3-acetylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093218
N-(3-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17098223
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
N-methyl-3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17233162
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
2-(4-anilinophenoxy)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 166371906

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17093194) is N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is AEVFWQDSXYKFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-4-25(2,3)19-10-16-23(17-11-19)29-18-24(28)27-22-14-12-21(13-15-22)26-20-8-6-5-7-9-20/h5-17,26H,4,18H2,1-3H3,(H,27,28).
What are the key properties of N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 388.51 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17093194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).