N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide

C24H35N3O2+2 — CID 9130769

IUPACN-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
SMILESCOc1ccc(C[NH+]2CC[NH+](CC(=O)N(C)Cc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-5-8-22(20(2)15-19)17-25(3)24(28)18-27-13-11-26(12-14-27)16-21-6-9-23(29-4)10-7-21/h5-10,15H,11-14,16-18H2,1-4H3/p+2
InChIKeyQHPHVOLFALISEV-UHFFFAOYSA-P
MW397.56 g/mol
LogP0.25
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide

N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide (PubChem CID 9130769) has the molecular formula C24H35N3O2+2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
PubChem CID9130769
Molecular FormulaC24H35N3O2+2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
SMILESCOc1ccc(C[NH+]2CC[NH+](CC(=O)N(C)Cc3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-5-8-22(20(2)15-19)17-25(3)24(28)18-27-13-11-26(12-14-27)16-21-6-9-23(29-4)10-7-21/h5-10,15H,11-14,16-18H2,1-4H3/p+2
InChIKeyQHPHVOLFALISEV-UHFFFAOYSA-P
XLogP0.25
TPSA38.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide
CID 8997557
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 9399132
ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772893
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9228067
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8872312
N-[(4-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide
CID 8587240
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 8945248
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7604312
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide (CID 9130769) is N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide is COc1ccc(C[NH+]2CC[NH+](CC(=O)N(C)Cc3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide?
The InChIKey is QHPHVOLFALISEV-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H33N3O2/c1-19-5-8-22(20(2)15-19)17-25(3)24(28)18-27-13-11-26(12-14-27)16-21-6-9-23(29-4)10-7-21/h5-10,15H,11-14,16-18H2,1-4H3/p+2.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide?
N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide has a molecular weight of 397.56 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide is sourced from PubChem (CID 9130769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).