N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide

C28H32N4O5 — CID 122459890

About N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide

N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 122459890) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide
• PubChem CID: 122459890
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(CCC2CC2)Cc2ccccc2C)C1=O
• InChI: InChI=1S/C28H32N4O5/c1-18-5-3-4-6-21(18)16-31(14-12-19-7-8-19)24(33)17-32-25(34)28(37-27(32)36)13-11-20-15-22(9-10-23(20)28)30-26(35)29-2/h3-6,9-10,15,19H,7-8,11-14,16-17H2,1-2H3,(H2,29,30,35)
• InChIKey: UVXKYXKYECMNFV-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide?

The IUPAC name of N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 122459890) is N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide.

What is the SMILES notation for N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide?

The canonical SMILES for N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide is CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(CCC2CC2)Cc2ccccc2C)C1=O.

What is the InChIKey of N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide?

The InChIKey is UVXKYXKYECMNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-18-5-3-4-6-21(18)16-31(14-12-19-7-8-19)24(33)17-32-25(34)28(37-27(32)36)13-11-20-15-22(9-10-23(20)28)30-26(35)29-2/h3-6,9-10,15,19H,7-8,11-14,16-17H2,1-2H3,(H2,29,30,35).

What are the key properties of N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide?

N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 504.59 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropylethyl)-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 122459890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).