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

C24H34ClN3O3 — CID 6603086

IUPACN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1.Cl
InChIInChI=1S/C24H33N3O3.ClH/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);1H
InChIKeyVKVPJEFJNMSJIG-UHFFFAOYSA-N
MW448.01 g/mol
LogP4.28
Rot. Bonds8

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

N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603086) has the molecular formula C24H34ClN3O3 and a molecular weight of 448.01 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603086
Molecular FormulaC24H34ClN3O3
Molecular Weight448.01 g/mol
Exact Mass447.23
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1.Cl
InChIInChI=1S/C24H33N3O3.ClH/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);1H
InChIKeyVKVPJEFJNMSJIG-UHFFFAOYSA-N
XLogP4.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 54.28
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;hydrochloride?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603086) is N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride is CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3ccc(C)cc3C)CC2)c1.Cl.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is VKVPJEFJNMSJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3.ClH/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);1H.
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 4.28, 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;hydrochloride is sourced from PubChem (CID 6603086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).