2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

C24H32N4O3 — CID 9435760

IUPAC2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-31-21-10-8-20(9-11-21)25-22(29)16-27-12-14-28(15-13-27)17-23(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyZNOHBNJPFATXSW-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.90
Rot. Bonds8

About 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 9435760) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID9435760
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-31-21-10-8-20(9-11-21)25-22(29)16-27-12-14-28(15-13-27)17-23(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyZNOHBNJPFATXSW-UHFFFAOYSA-N
XLogP2.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-ethoxyphenyl)-2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]acetamide
CID 133404758
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
N-(4-ethoxyphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120705085
ethyl (2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95099547
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 9435760) is 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is ZNOHBNJPFATXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-21-10-8-20(9-11-21)25-22(29)16-27-12-14-28(15-13-27)17-23(30)26-24-18(2)6-5-7-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 9435760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).