N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide

C24H31N3O4 — CID 3243762

IUPACN-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-30-21-9-5-19(6-10-21)23(28)17-26-13-15-27(16-14-26)18-24(29)25-20-7-11-22(12-8-20)31-4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,29)
InChIKeyXNKNKEKCPRRHOC-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.92
Rot. Bonds10

About N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 3243762) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID3243762
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-3-30-21-9-5-19(6-10-21)23(28)17-26-13-15-27(16-14-26)18-24(29)25-20-7-11-22(12-8-20)31-4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,29)
InChIKeyXNKNKEKCPRRHOC-UHFFFAOYSA-N
XLogP2.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide (CID 3243762) is N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is XNKNKEKCPRRHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-30-21-9-5-19(6-10-21)23(28)17-26-13-15-27(16-14-26)18-24(29)25-20-7-11-22(12-8-20)31-4-2/h5-12H,3-4,13-18H2,1-2H3,(H,25,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[2-(4-ethoxyphenyl)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 3243762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).