N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C25H33N3O3 — CID 24565235

IUPACN-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-3-30-22-12-13-24(31-4-2)23(19-22)26-25(29)20-28-17-15-27(16-18-28)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,26,29)/b11-8+
InChIKeyFITAYZWNBRKZTH-DHZHZOJOSA-N
MW423.56 g/mol
LogP3.75
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 24565235) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID24565235
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-3-30-22-12-13-24(31-4-2)23(19-22)26-25(29)20-28-17-15-27(16-18-28)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,26,29)/b11-8+
InChIKeyFITAYZWNBRKZTH-DHZHZOJOSA-N
XLogP3.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109004517
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
2-(2-ethoxyanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004575
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
CID 4916839
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
N-(2-ethoxyphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
CID 23940100

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 24565235) is N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is CCOc1ccc(OCC)c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is FITAYZWNBRKZTH-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-30-22-12-13-24(31-4-2)23(19-22)26-25(29)20-28-17-15-27(16-18-28)14-8-11-21-9-6-5-7-10-21/h5-13,19H,3-4,14-18,20H2,1-2H3,(H,26,29)/b11-8+.
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24565235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).