N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide

C24H33N3O3 — CID 654504

IUPACN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-5-29-20-8-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-9-7-18(3)15-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28)
InChIKeyOQRLWKJADLFKID-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.86
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide

N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide (PubChem CID 654504) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide
PubChem CID654504
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-5-29-20-8-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-9-7-18(3)15-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28)
InChIKeyOQRLWKJADLFKID-UHFFFAOYSA-N
XLogP3.86
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide (CID 654504) is N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide is CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide?
The InChIKey is OQRLWKJADLFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-29-20-8-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-9-7-18(3)15-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide?
N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.86, 8 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-(2,4-dimethylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).