4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

C25H26N2O4 — CID 170508635

About 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide

4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (PubChem CID 170508635) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
• PubChem CID: 170508635
• Molecular Formula: C25H26N2O4
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.19
• IUPAC Name: 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
• SMILES: CNC(=O)Cc1ccccc1NC(=O)c1c(C)cc(CCCc2ccccc2)oc1=O
• InChI: InChI=1S/C25H26N2O4/c1-17-15-20(13-8-11-18-9-4-3-5-10-18)31-25(30)23(17)24(29)27-21-14-7-6-12-19(21)16-22(28)26-2/h3-7,9-10,12,14-15H,8,11,13,16H2,1-2H3,(H,26,28)(H,27,29)
• InChIKey: SQYJQTGTAIXKLH-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 88.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?

The IUPAC name of 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide (CID 170508635) is 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1c(C)cc(CCCc2ccccc2)oc1=O.

What is the InChIKey of 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?

The InChIKey is SQYJQTGTAIXKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-15-20(13-8-11-18-9-4-3-5-10-18)31-25(30)23(17)24(29)27-21-14-7-6-12-19(21)16-22(28)26-2/h3-7,9-10,12,14-15H,8,11,13,16H2,1-2H3,(H,26,28)(H,27,29).

What are the key properties of 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide?

4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide is sourced from PubChem (CID 170508635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).