N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide

C28H32N4O3 — CID 55410746

IUPACN-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H32N4O3/c33-27(22-32-17-15-31(16-18-32)19-20-35-24-11-5-2-6-12-24)30-26-14-8-7-13-25(26)28(34)29-21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,34)(H,30,33)
InChIKeyJBONQIHUAFEMMO-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.25
Rot. Bonds10

About N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 55410746) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID55410746
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H32N4O3/c33-27(22-32-17-15-31(16-18-32)19-20-35-24-11-5-2-6-12-24)30-26-14-8-7-13-25(26)28(34)29-21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,34)(H,30,33)
InChIKeyJBONQIHUAFEMMO-UHFFFAOYSA-N
XLogP3.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 17391707

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide (CID 55410746) is N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is JBONQIHUAFEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-27(22-32-17-15-31(16-18-32)19-20-35-24-11-5-2-6-12-24)30-26-14-8-7-13-25(26)28(34)29-21-23-9-3-1-4-10-23/h1-14H,15-22H2,(H,29,34)(H,30,33).
What are the key properties of N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55410746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).