2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C24H29F3N2O2 — CID 3632029

IUPAC2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-23(2,3)17-7-10-19(11-8-17)31-16-22(30)28-20-15-18(24(25,26)27)9-12-21(20)29-13-5-4-6-14-29/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,28,30)
InChIKeyXZLWZKYCTIMQBT-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.01
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 3632029) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID3632029
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-23(2,3)17-7-10-19(11-8-17)31-16-22(30)28-20-15-18(24(25,26)27)9-12-21(20)29-13-5-4-6-14-29/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,28,30)
InChIKeyXZLWZKYCTIMQBT-UHFFFAOYSA-N
XLogP6.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 22777363
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3625049
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 3632029) is 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XZLWZKYCTIMQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-23(2,3)17-7-10-19(11-8-17)31-16-22(30)28-20-15-18(24(25,26)27)9-12-21(20)29-13-5-4-6-14-29/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,28,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3632029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).