2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

C24H32N4O5 — CID 3245746

IUPAC2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C24H32N4O5/c1-4-33-20-7-5-18(6-8-20)25-23(29)16-27-9-11-28(12-10-27)17-24(30)26-19-13-21(31-2)15-22(14-19)32-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyNCJICBACMDWGLU-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.30
Rot. Bonds10

About 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 3245746) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID3245746
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C24H32N4O5/c1-4-33-20-7-5-18(6-8-20)25-23(29)16-27-9-11-28(12-10-27)17-24(30)26-19-13-21(31-2)15-22(14-19)32-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyNCJICBACMDWGLU-UHFFFAOYSA-N
XLogP2.30
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 3245746) is 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is NCJICBACMDWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-4-33-20-7-5-18(6-8-20)25-23(29)16-27-9-11-28(12-10-27)17-24(30)26-19-13-21(31-2)15-22(14-19)32-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 456.54 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).