2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide

C24H31N3O3 — CID 31348908

IUPAC2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-18(2)20-10-9-19(3)22(15-20)30-17-24(29)27-13-11-26(12-14-27)16-23(28)25-21-7-5-4-6-8-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeySEGFFVFEGPFGLU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 31348908) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID31348908
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-18(2)20-10-9-19(3)22(15-20)30-17-24(29)27-13-11-26(12-14-27)16-23(28)25-21-7-5-4-6-8-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,25,28)
InChIKeySEGFFVFEGPFGLU-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 34432596
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
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2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30292786
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 38573516
2-(2-methyl-5-propan-2-ylphenoxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 86957718
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55973351
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CID 18137081
2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 20972561
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide (CID 31348908) is 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is SEGFFVFEGPFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(2)20-10-9-19(3)22(15-20)30-17-24(29)27-13-11-26(12-14-27)16-23(28)25-21-7-5-4-6-8-21/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 409.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31348908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).