N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide

C23H33N3O3+2 — CID 8549823

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-22-10-6-5-7-20(22)11-12-24-23(27)19-26-15-13-25(14-16-26)17-18-29-21-8-3-2-4-9-21/h2-10H,11-19H2,1H3,(H,24,27)/p+2
InChIKeySWMFZJAPCIZSQA-UHFFFAOYSA-P
MW399.53 g/mol
LogP-0.78
Rot. Bonds10

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

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8549823) has the molecular formula C23H33N3O3+2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID8549823
Molecular FormulaC23H33N3O3+2
Molecular Weight399.53 g/mol
Exact Mass399.25
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C23H31N3O3/c1-28-22-10-6-5-7-20(22)11-12-24-23(27)19-26-15-13-25(14-16-26)17-18-29-21-8-3-2-4-9-21/h2-10H,11-19H2,1H3,(H,24,27)/p+2
InChIKeySWMFZJAPCIZSQA-UHFFFAOYSA-P
XLogP-0.78
TPSA56.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549729
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
N-(2-benzylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259983
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8623412
N-(1-adamantylmethyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259453
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259349
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide (CID 8549823) is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is COc1ccccc1CCNC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is SWMFZJAPCIZSQA-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O3/c1-28-22-10-6-5-7-20(22)11-12-24-23(27)19-26-15-13-25(14-16-26)17-18-29-21-8-3-2-4-9-21/h2-10H,11-19H2,1H3,(H,24,27)/p+2.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 399.53 g/mol, XLogP of -0.78, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8549823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).