N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide

C25H32N4O2 — CID 8544535

IUPACN-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c1-20-8-6-9-21(2)25(20)27-23(30)18-26-24(31)19-29-16-14-28(15-17-29)13-7-12-22-10-4-3-5-11-22/h3-12H,13-19H2,1-2H3,(H,26,31)(H,27,30)/b12-7+
InChIKeyCJQYJERVCDIRGF-KPKJPENVSA-N
MW420.56 g/mol
LogP2.69
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 8544535) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide
PubChem CID8544535
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H32N4O2/c1-20-8-6-9-21(2)25(20)27-23(30)18-26-24(31)19-29-16-14-28(15-17-29)13-7-12-22-10-4-3-5-11-22/h3-12H,13-19H2,1-2H3,(H,26,31)(H,27,30)/b12-7+
InChIKeyCJQYJERVCDIRGF-KPKJPENVSA-N
XLogP2.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide with MolForge

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
2-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]-N-phenylacetamide
CID 111218395
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 8621429

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide (CID 8544535) is N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is CJQYJERVCDIRGF-KPKJPENVSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20-8-6-9-21(2)25(20)27-23(30)18-26-24(31)19-29-16-14-28(15-17-29)13-7-12-22-10-4-3-5-11-22/h3-12H,13-19H2,1-2H3,(H,26,31)(H,27,30)/b12-7+.
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8544535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).