2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

C24H29BrN2O3 — CID 17051639

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-24(2,3)19-15-17(25)11-12-21(19)30-16-22(28)26-20-10-6-5-9-18(20)23(29)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,26,28)
InChIKeyNBMAWVWYBYBZJF-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.39
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 17051639) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID17051639
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-24(2,3)19-15-17(25)11-12-21(19)30-16-22(28)26-20-10-6-5-9-18(20)23(29)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,26,28)
InChIKeyNBMAWVWYBYBZJF-UHFFFAOYSA-N
XLogP5.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17051842
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17051638

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (CID 17051639) is 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is NBMAWVWYBYBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-24(2,3)19-15-17(25)11-12-21(19)30-16-22(28)26-20-10-6-5-9-18(20)23(29)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 473.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17051639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).