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

C24H33N3O2 — CID 84965791

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-18-16-19(2)23(20(3)17-18)25-24(28)21(4)27-12-10-26(11-13-27)14-15-29-22-8-6-5-7-9-22/h5-9,16-17,21H,10-15H2,1-4H3,(H,25,28)
InChIKeyFDUAZRXYRJGJLT-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds7

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

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 84965791) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID84965791
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(CCOc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-18-16-19(2)23(20(3)17-18)25-24(28)21(4)27-12-10-26(11-13-27)14-15-29-22-8-6-5-7-9-22/h5-9,16-17,21H,10-15H2,1-4H3,(H,25,28)
InChIKeyFDUAZRXYRJGJLT-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 84965791) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2CCN(CCOc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FDUAZRXYRJGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18-16-19(2)23(20(3)17-18)25-24(28)21(4)27-12-10-26(11-13-27)14-15-29-22-8-6-5-7-9-22/h5-9,16-17,21H,10-15H2,1-4H3,(H,25,28).
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 3.64, 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)propanamide is sourced from PubChem (CID 84965791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).