N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide

C25H31F3N4O3 — CID 24665074

IUPACN-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C25H31F3N4O3/c1-3-19-8-4-6-10-21(19)29-23(33)17-31-12-14-32(15-13-31)24(34)18-30(2)16-20-9-5-7-11-22(20)35-25(26,27)28/h4-11H,3,12-18H2,1-2H3,(H,29,33)
InChIKeyAKSWXAUKGNQFTD-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.36
Rot. Bonds9

About N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 24665074) has the molecular formula C25H31F3N4O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID24665074
Molecular FormulaC25H31F3N4O3
Molecular Weight492.54 g/mol
Exact Mass492.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C25H31F3N4O3/c1-3-19-8-4-6-10-21(19)29-23(33)17-31-12-14-32(15-13-31)24(34)18-30(2)16-20-9-5-7-11-22(20)35-25(26,27)28/h4-11H,3,12-18H2,1-2H3,(H,29,33)
InChIKeyAKSWXAUKGNQFTD-UHFFFAOYSA-N
XLogP3.36
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
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N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
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2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78822355
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide (CID 24665074) is N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is AKSWXAUKGNQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3/c1-3-19-8-4-6-10-21(19)29-23(33)17-31-12-14-32(15-13-31)24(34)18-30(2)16-20-9-5-7-11-22(20)35-25(26,27)28/h4-11H,3,12-18H2,1-2H3,(H,29,33).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 492.54 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24665074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).