2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C19H30N4O4 — CID 24507184

IUPAC2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CC(=O)NCCOC)CC1
InChIInChI=1S/C19H30N4O4/c1-3-27-17-7-5-4-6-16(17)21-19(25)15-23-11-9-22(10-12-23)14-18(24)20-8-13-26-2/h4-7H,3,8-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWGGDLUJMMPLUGE-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.40
Rot. Bonds10

About 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 24507184) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID24507184
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(CC(=O)NCCOC)CC1
InChIInChI=1S/C19H30N4O4/c1-3-27-17-7-5-4-6-16(17)21-19(25)15-23-11-9-22(10-12-23)14-18(24)20-8-13-26-2/h4-7H,3,8-15H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyWGGDLUJMMPLUGE-UHFFFAOYSA-N
XLogP0.40
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 24507184) is 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is CCOc1ccccc1NC(=O)CN1CCN(CC(=O)NCCOC)CC1.
What is the InChIKey of 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is WGGDLUJMMPLUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-3-27-17-7-5-4-6-16(17)21-19(25)15-23-11-9-22(10-12-23)14-18(24)20-8-13-26-2/h4-7H,3,8-15H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 24507184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).