2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide

C24H31N3O4 — CID 650311

IUPAC2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-19-3-7-21(8-4-19)30-17-23(28)25-11-12-26-13-15-27(16-14-26)24(29)18-31-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3,(H,25,28)
InChIKeyRYAQVLNLOKWRTO-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.02
Rot. Bonds9

About 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide

2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 650311) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide
PubChem CID650311
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c1-19-3-7-21(8-4-19)30-17-23(28)25-11-12-26-13-15-27(16-14-26)24(29)18-31-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3,(H,25,28)
InChIKeyRYAQVLNLOKWRTO-UHFFFAOYSA-N
XLogP2.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide (CID 650311) is 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide is Cc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is RYAQVLNLOKWRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-19-3-7-21(8-4-19)30-17-23(28)25-11-12-26-13-15-27(16-14-26)24(29)18-31-22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 650311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).