2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C18H29N3O2 — CID 18578229

IUPAC2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-23-14-18(22)19-13-17(16-7-5-15(2)6-8-16)21-11-9-20(3)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyGZEKRKUFTLOSEN-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.44
Rot. Bonds7

About 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 18578229) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID18578229
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-23-14-18(22)19-13-17(16-7-5-15(2)6-8-16)21-11-9-20(3)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyGZEKRKUFTLOSEN-UHFFFAOYSA-N
XLogP1.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 18578229) is 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is CCOCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1.
What is the InChIKey of 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is GZEKRKUFTLOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-14-18(22)19-13-17(16-7-5-15(2)6-8-16)21-11-9-20(3)10-12-21/h5-8,17H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 18578229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).