N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide

C26H34ClN3O3 — CID 17092273

IUPACN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H34ClN3O3/c1-5-6-25(32)30-15-13-29(14-16-30)23-12-9-20(27)17-22(23)28-24(31)18-33-21-10-7-19(8-11-21)26(2,3)4/h7-12,17H,5-6,13-16,18H2,1-4H3,(H,28,31)
InChIKeyURDYWWOACGBHJP-UHFFFAOYSA-N
MW472.03 g/mol
LogP5.10
Rot. Bonds7

About N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide (PubChem CID 17092273) has the molecular formula C26H34ClN3O3 and a molecular weight of 472.03 g/mol. Its IUPAC name is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
PubChem CID17092273
Molecular FormulaC26H34ClN3O3
Molecular Weight472.03 g/mol
Exact Mass471.23
IUPAC NameN-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C26H34ClN3O3/c1-5-6-25(32)30-15-13-29(14-16-30)23-12-9-20(27)17-22(23)28-24(31)18-33-21-10-7-19(8-11-21)26(2,3)4/h7-12,17H,5-6,13-16,18H2,1-4H3,(H,28,31)
InChIKeyURDYWWOACGBHJP-UHFFFAOYSA-N
XLogP5.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17092281
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17092277
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17092278
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319255
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17091965
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]propanamide
CID 17091961

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide (CID 17092273) is N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide is CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is URDYWWOACGBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O3/c1-5-6-25(32)30-15-13-29(14-16-30)23-12-9-20(27)17-22(23)28-24(31)18-33-21-10-7-19(8-11-21)26(2,3)4/h7-12,17H,5-6,13-16,18H2,1-4H3,(H,28,31).
What are the key properties of N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide?
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 472.03 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 17092273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).