2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide

C23H33N3O2+2 — CID 9259831

IUPAC2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-19(2)21-10-6-7-11-22(21)24-23(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3,(H,24,27)/p+2
InChIKeyBWQYJRCQNDNTPG-UHFFFAOYSA-P
MW383.54 g/mol
LogP0.61
Rot. Bonds8

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

2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 9259831) has the molecular formula C23H33N3O2+2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID9259831
Molecular FormulaC23H33N3O2+2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-19(2)21-10-6-7-11-22(21)24-23(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3,(H,24,27)/p+2
InChIKeyBWQYJRCQNDNTPG-UHFFFAOYSA-P
XLogP0.61
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773213
N-(2-benzylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259983
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259647
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(2-phenoxyethyl)azanium
CID 8797759
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549689
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9260199
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259349
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide (CID 9259831) is 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)C[NH+]1CC[NH+](CCOc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is BWQYJRCQNDNTPG-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H31N3O2/c1-19(2)21-10-6-7-11-22(21)24-23(27)18-26-14-12-25(13-15-26)16-17-28-20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3,(H,24,27)/p+2.
What are the key properties of 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide?
2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 383.54 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9259831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).