2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide

C26H31N3O2 — CID 36846496

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(CC)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O2/c1-3-29(23-14-9-11-21-10-5-6-12-22(21)23)26(30)20-27-16-18-28(19-17-27)24-13-7-8-15-25(24)31-4-2/h5-15H,3-4,16-20H2,1-2H3
InChIKeyRXXBOHRQNNGVFJ-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.41
Rot. Bonds7

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 36846496) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID36846496
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)N(CC)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H31N3O2/c1-3-29(23-14-9-11-21-10-5-6-12-22(21)23)26(30)20-27-16-18-28(19-17-27)24-13-7-8-15-25(24)31-4-2/h5-15H,3-4,16-20H2,1-2H3
InChIKeyRXXBOHRQNNGVFJ-UHFFFAOYSA-N
XLogP4.41
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide (CID 36846496) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide is CCOc1ccccc1N1CCN(CC(=O)N(CC)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is RXXBOHRQNNGVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-3-29(23-14-9-11-21-10-5-6-12-22(21)23)26(30)20-27-16-18-28(19-17-27)24-13-7-8-15-25(24)31-4-2/h5-15H,3-4,16-20H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 417.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 36846496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).