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

C26H33N3O2+2 — CID 9046899

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H31N3O2/c1-31-24-11-9-21(10-12-24)13-14-27-26(30)20-29-17-15-28(16-18-29)19-23-7-4-6-22-5-2-3-8-25(22)23/h2-12H,13-20H2,1H3,(H,27,30)/p+2
InChIKeyODCIOPJUURHGAI-UHFFFAOYSA-P
MW419.57 g/mol
LogP0.49
Rot. Bonds8

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

N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9046899) has the molecular formula C26H33N3O2+2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID9046899
Molecular FormulaC26H33N3O2+2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H31N3O2/c1-31-24-11-9-21(10-12-24)13-14-27-26(30)20-29-17-15-28(16-18-29)19-23-7-4-6-22-5-2-3-8-25(22)23/h2-12H,13-20H2,1H3,(H,27,30)/p+2
InChIKeyODCIOPJUURHGAI-UHFFFAOYSA-P
XLogP0.49
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8897216
N-butyl-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130146
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-(2-benzylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130202
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8804598
N-[2-(1H-indol-3-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8596498
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
3-(2,6-diethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025794

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (CID 9046899) is N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is COc1ccc(CCNC(=O)C[NH+]2CC[NH+](Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is ODCIOPJUURHGAI-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H31N3O2/c1-31-24-11-9-21(10-12-24)13-14-27-26(30)20-29-17-15-28(16-18-29)19-23-7-4-6-22-5-2-3-8-25(22)23/h2-12H,13-20H2,1H3,(H,27,30)/p+2.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9046899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).