2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

C20H24N4O4 — CID 8703723

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-19-6-4-3-5-18(19)23-13-11-22(12-14-23)15-20(25)21-16-7-9-17(10-8-16)24(26)27/h3-10H,2,11-15H2,1H3,(H,21,25)
InChIKeyVIDQRYYUMOTNGG-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 8703723) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID8703723
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-19-6-4-3-5-18(19)23-13-11-22(12-14-23)15-20(25)21-16-7-9-17(10-8-16)24(26)27/h3-10H,2,11-15H2,1H3,(H,21,25)
InChIKeyVIDQRYYUMOTNGG-UHFFFAOYSA-N
XLogP2.75
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
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
1-(2-ethoxyphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791208
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8691402
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020700
ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
N-(2-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide (CID 8703723) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is VIDQRYYUMOTNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-28-19-6-4-3-5-18(19)23-13-11-22(12-14-23)15-20(25)21-16-7-9-17(10-8-16)24(26)27/h3-10H,2,11-15H2,1H3,(H,21,25).
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).