2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide

C30H37N5O3 — CID 46006223

About 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide

2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide (PubChem CID 46006223) has the molecular formula C30H37N5O3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
• PubChem CID: 46006223
• Molecular Formula: C30H37N5O3
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.29
• IUPAC Name: 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
• SMILES: COCC(=O)N(CCC(C)C)CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
• InChI: InChI=1S/C30H37N5O3/c1-23(2)15-16-35(30(37)22-38-3)21-29(36)34-19-17-33(18-20-34)28-14-13-27(31-32-28)26-11-9-25(10-12-26)24-7-5-4-6-8-24/h4-14,23H,15-22H2,1-3H3
• InChIKey: GPVPYASRBAZFOT-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The IUPAC name of 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide (CID 46006223) is 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide is COCC(=O)N(CCC(C)C)CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.

What is the InChIKey of 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

The InChIKey is GPVPYASRBAZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3/c1-23(2)15-16-35(30(37)22-38-3)21-29(36)34-19-17-33(18-20-34)28-14-13-27(31-32-28)26-11-9-25(10-12-26)24-7-5-4-6-8-24/h4-14,23H,15-22H2,1-3H3.

What are the key properties of 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide?

2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 515.66 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 46006223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).