2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C23H31N3O2 — CID 9259876

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H31N3O2/c1-18-15-19(2)23(20(3)16-18)24-22(27)17-26-11-9-25(10-12-26)13-14-28-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)
InChIKeyMWJBDLAFOAQAKW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.25
Rot. Bonds7

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9259876) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9259876
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H31N3O2/c1-18-15-19(2)23(20(3)16-18)24-22(27)17-26-11-9-25(10-12-26)13-14-28-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)
InChIKeyMWJBDLAFOAQAKW-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-[[2-[4-(2-methoxyethyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577096
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 9259876) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MWJBDLAFOAQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-15-19(2)23(20(3)16-18)24-22(27)17-26-11-9-25(10-12-26)13-14-28-21-7-5-4-6-8-21/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9259876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).