N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride

C24H34ClN3O3 — CID 6603085

IUPACN-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-5-29-20-10-11-23(30-6-2)21(16-20)25-24(28)17-26-12-14-27(15-13-26)22-9-7-8-18(3)19(22)4;/h7-11,16H,5-6,12-15,17H2,1-4H3,(H,25,28);1H
InChIKeyRAEYVJPYCUMXCJ-UHFFFAOYSA-N
MW448.01 g/mol
LogP4.28
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride

N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603085) has the molecular formula C24H34ClN3O3 and a molecular weight of 448.01 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603085
Molecular FormulaC24H34ClN3O3
Molecular Weight448.01 g/mol
Exact Mass447.23
IUPAC NameN-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1.Cl
InChIInChI=1S/C24H33N3O3.ClH/c1-5-29-20-10-11-23(30-6-2)21(16-20)25-24(28)17-26-12-14-27(15-13-26)22-9-7-8-18(3)19(22)4;/h7-11,16H,5-6,12-15,17H2,1-4H3,(H,25,28);1H
InChIKeyRAEYVJPYCUMXCJ-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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Related Compounds

2-Ethoxy-2'-ethyloxanilide
CID 90303
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
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Opc 4392
CID 163839
8-Methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 118712409
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468739
N-(2-methoxyphenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide;hydrochloride
CID 16247486
N-(2,5-dimethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818439
N-[2-[5-[(2-ethylphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 50899628
N-[3-(4,5-dicyano-2-morpholin-4-ylphenoxy)phenyl]acetamide
CID 1087089
N-(5-fluoro-2-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 650895
N-[2,5-dimethoxy-4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]benzamide
CID 654839

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603085) is N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride is CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1.Cl.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is RAEYVJPYCUMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3.ClH/c1-5-29-20-10-11-23(30-6-2)21(16-20)25-24(28)17-26-12-14-27(15-13-26)22-9-7-8-18(3)19(22)4;/h7-11,16H,5-6,12-15,17H2,1-4H3,(H,25,28);1H.
What are the key properties of N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(2,5-diethoxyphenyl)-2-[4-(2,3-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-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).