N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide

C23H33N3O5+2 — CID 9259349

IUPACN-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(OCC[NH+]2CC[NH+](CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O5/c1-28-18-4-6-19(7-5-18)31-15-14-25-10-12-26(13-11-25)17-23(27)24-21-9-8-20(29-2)16-22(21)30-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+2
InChIKeyXNDHPYWCENYQLI-UHFFFAOYSA-P
MW431.53 g/mol
LogP-0.49
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9259349) has the molecular formula C23H33N3O5+2 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID9259349
Molecular FormulaC23H33N3O5+2
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(OCC[NH+]2CC[NH+](CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O5/c1-28-18-4-6-19(7-5-18)31-15-14-25-10-12-26(13-11-25)17-23(27)24-21-9-8-20(29-2)16-22(21)30-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+2
InChIKeyXNDHPYWCENYQLI-UHFFFAOYSA-P
XLogP-0.49
TPSA74.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 9131173
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9260155
N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
CID 5059200
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 9223633
methyl 2-[(2R)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate
CID 8561806
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 6945137
N-(2-ethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773213
N-(2,4-dimethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 7399457

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide (CID 9259349) is N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide is COc1ccc(OCC[NH+]2CC[NH+](CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is XNDHPYWCENYQLI-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O5/c1-28-18-4-6-19(7-5-18)31-15-14-25-10-12-26(13-11-25)17-23(27)24-21-9-8-20(29-2)16-22(21)30-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+2.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 431.53 g/mol, XLogP of -0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9259349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).