2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide

C20H40N8O2 — CID 15724740

IUPAC2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NCCN1CCNCC1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C20H40N8O2/c1-19(2,17(29)23-9-15-27-11-5-21-6-12-27)25-26-20(3,4)18(30)24-10-16-28-13-7-22-8-14-28/h21-22H,5-16H2,1-4H3,(H,23,29)(H,24,30)/b26-25+
InChIKeyKOWPFQDZXLKXJX-OCEACIFDSA-N
MW424.59 g/mol
LogP-0.96
Rot. Bonds10

About 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide

2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide (PubChem CID 15724740) has the molecular formula C20H40N8O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide
PubChem CID15724740
Molecular FormulaC20H40N8O2
Molecular Weight424.59 g/mol
Exact Mass424.33
IUPAC Name2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide
SMILESCC(C)(/N=N/C(C)(C)C(=O)NCCN1CCNCC1)C(=O)NCCN1CCNCC1
InChIInChI=1S/C20H40N8O2/c1-19(2,17(29)23-9-15-27-11-5-21-6-12-27)25-26-20(3,4)18(30)24-10-16-28-13-7-22-8-14-28/h21-22H,5-16H2,1-4H3,(H,23,29)(H,24,30)/b26-25+
InChIKeyKOWPFQDZXLKXJX-OCEACIFDSA-N
XLogP-0.96
TPSA113.46 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide?
The IUPAC name of 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide (CID 15724740) is 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide is CC(C)(/N=N/C(C)(C)C(=O)NCCN1CCNCC1)C(=O)NCCN1CCNCC1.
What is the InChIKey of 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide?
The InChIKey is KOWPFQDZXLKXJX-OCEACIFDSA-N. The full InChI is InChI=1S/C20H40N8O2/c1-19(2,17(29)23-9-15-27-11-5-21-6-12-27)25-26-20(3,4)18(30)24-10-16-28-13-7-22-8-14-28/h21-22H,5-16H2,1-4H3,(H,23,29)(H,24,30)/b26-25+.
What are the key properties of 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide?
2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide has a molecular weight of 424.59 g/mol, XLogP of -0.96, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)propan-2-yl]diazenyl]-N-(2-piperazin-1-ylethyl)propanamide is sourced from PubChem (CID 15724740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).