N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C27H32N4O3 — CID 55637109

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 55637109) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
• PubChem CID: 55637109
• Molecular Formula: C27H32N4O3
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.25
• IUPAC Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(CN2CC(C)OC(C)C2)cc1
• InChI: InChI=1S/C27H32N4O3/c1-18-15-30(16-19(2)34-18)17-23-12-10-22(11-13-23)14-28-27(33)26(32)25-20(3)29-31(21(25)4)24-8-6-5-7-9-24/h5-13,18-19H,14-17H2,1-4H3,(H,28,33)
• InChIKey: USGSGGSKDGSDSG-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 55637109) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(CN2CC(C)OC(C)C2)cc1.

What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

The InChIKey is USGSGGSKDGSDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-18-15-30(16-19(2)34-18)17-23-12-10-22(11-13-23)14-28-27(33)26(32)25-20(3)29-31(21(25)4)24-8-6-5-7-9-24/h5-13,18-19H,14-17H2,1-4H3,(H,28,33).

What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 460.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 55637109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).