2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

C25H33N3O3 — CID 2944268

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C25H33N3O3/c1-5-25(30)28-14-12-27(13-15-28)22-9-7-6-8-21(22)26-24(29)17-31-23-16-19(4)10-11-20(23)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,26,29)
InChIKeyDIKHPAMJLDOPOJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.19
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2944268) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID2944268
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C25H33N3O3/c1-5-25(30)28-14-12-27(13-15-28)22-9-7-6-8-21(22)26-24(29)17-31-23-16-19(4)10-11-20(23)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,26,29)
InChIKeyDIKHPAMJLDOPOJ-UHFFFAOYSA-N
XLogP4.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 959796
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 18272936
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]ethanone
CID 17110281

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 2944268) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)ccc2C(C)C)CC1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is DIKHPAMJLDOPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-5-25(30)28-14-12-27(13-15-28)22-9-7-6-8-21(22)26-24(29)17-31-23-16-19(4)10-11-20(23)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3,(H,26,29).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2944268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).