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

C29H34N4O5 — CID 134327493

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

N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide (PubChem CID 134327493) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 134327493
• Molecular Formula: C29H34N4O5
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.25
• IUPAC Name: N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide
• SMILES: CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(CCc2ccccc2)C2CCCCC2)C1=O
• InChI: InChI=1S/C29H34N4O5/c1-30-27(36)31-22-12-13-24-21(18-22)14-16-29(24)26(35)33(28(37)38-29)19-25(34)32(23-10-6-3-7-11-23)17-15-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,23H,3,6-7,10-11,14-17,19H2,1H3,(H2,30,31,36)/t29-/m1/s1
• InChIKey: PGTKCFMTCBMLEE-GDLZYMKVSA-N
• XLogP: 3.96
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide (CID 134327493) is N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(CCc2ccccc2)C2CCCCC2)C1=O.

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

The InChIKey is PGTKCFMTCBMLEE-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-30-27(36)31-22-12-13-24-21(18-22)14-16-29(24)26(35)33(28(37)38-29)19-25(34)32(23-10-6-3-7-11-23)17-15-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,18,23H,3,6-7,10-11,14-17,19H2,1H3,(H2,30,31,36)/t29-/m1/s1.

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

N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 518.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 134327493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).