2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C24H32N4O3 — CID 8691402

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-8-6-5-7-21(22)28-15-13-27(14-16-28)18-24(30)26(3)17-23(29)25-20-11-9-19(2)10-12-20/h5-12H,4,13-18H2,1-3H3,(H,25,29)
InChIKeyXXJOGNBWHCBAIR-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.61
Rot. Bonds8

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 8691402) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID8691402
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-8-6-5-7-21(22)28-15-13-27(14-16-28)18-24(30)26(3)17-23(29)25-20-11-9-19(2)10-12-20/h5-12H,4,13-18H2,1-3H3,(H,25,29)
InChIKeyXXJOGNBWHCBAIR-UHFFFAOYSA-N
XLogP2.61
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8703723
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 3908014
N-(3,4-difluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 29325843
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537
ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 8691402) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is CCOc1ccccc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is XXJOGNBWHCBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-22-8-6-5-7-21(22)28-15-13-27(14-16-28)18-24(30)26(3)17-23(29)25-20-11-9-19(2)10-12-20/h5-12H,4,13-18H2,1-3H3,(H,25,29).
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 8691402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).