2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide

C24H34N4O3+2 — CID 9435138

IUPAC2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-11-6-5-9-21(22)26-24(30)17-28-14-12-27(13-15-28)16-23(29)25-20-10-7-8-18(2)19(20)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)/p+2
InChIKeyYWCQWLXLNIRVCZ-UHFFFAOYSA-P
MW426.56 g/mol
LogP0.06
Rot. Bonds8

About 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 9435138) has the molecular formula C24H34N4O3+2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID9435138
Molecular FormulaC24H34N4O3+2
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N4O3/c1-4-31-22-11-6-5-9-21(22)26-24(30)17-28-14-12-27(13-15-28)16-23(29)25-20-10-7-8-18(2)19(20)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)/p+2
InChIKeyYWCQWLXLNIRVCZ-UHFFFAOYSA-P
XLogP0.06
TPSA76.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-propylacetamide
CID 9435238
N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
CID 7411643
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993957
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9435166
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-[4-[2-[butyl(methyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694641
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8721026
N-(2,3-dimethylphenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8711910
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 9435138) is 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)C[NH+]1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is YWCQWLXLNIRVCZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H32N4O3/c1-4-31-22-11-6-5-9-21(22)26-24(30)17-28-14-12-27(13-15-28)16-23(29)25-20-10-7-8-18(2)19(20)3/h5-11H,4,12-17H2,1-3H3,(H,25,29)(H,26,30)/p+2.
What are the key properties of 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 426.56 g/mol, XLogP of 0.06, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 9435138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).