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

C26H29ClN4O5 — CID 118957792

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

N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide (PubChem CID 118957792) has the molecular formula C26H29ClN4O5 and a molecular weight of 512.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide
• PubChem CID: 118957792
• Molecular Formula: C26H29ClN4O5
• Molecular Weight: 512.99 g/mol
• Exact Mass: 512.18
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2Cl)CC(C)C)C1=O
• InChI: InChI=1S/C26H29ClN4O5/c1-16(2)13-30(14-18-6-4-5-7-21(18)27)22(32)15-31-23(33)26(36-25(31)35)11-10-17-12-19(8-9-20(17)26)29-24(34)28-3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H2,28,29,34)/t26-/m1/s1
• InChIKey: PHHNZHCCKVELOL-AREMUKBSSA-N
• XLogP: 3.90
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.99
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide (CID 118957792) is N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2Cl)CC(C)C)C1=O.

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

The InChIKey is PHHNZHCCKVELOL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29ClN4O5/c1-16(2)13-30(14-18-6-4-5-7-21(18)27)22(32)15-31-23(33)26(36-25(31)35)11-10-17-12-19(8-9-20(17)26)29-24(34)28-3/h4-9,12,16H,10-11,13-15H2,1-3H3,(H2,28,29,34)/t26-/m1/s1.

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

N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 512.99 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 118957792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).