(5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide

C29H33N3O6 — CID 118958508

About (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide

(5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide (PubChem CID 118958508) has the molecular formula C29H33N3O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide
• PubChem CID: 118958508
• Molecular Formula: C29H33N3O6
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.24
• IUPAC Name: (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide
• SMILES: COCCNC(=O)c1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O
• InChI: InChI=1S/C29H33N3O6/c1-19(21-8-9-21)31(17-20-6-4-3-5-7-20)25(33)18-32-27(35)29(38-28(32)36)13-12-22-16-23(10-11-24(22)29)26(34)30-14-15-37-2/h3-7,10-11,16,19,21H,8-9,12-15,17-18H2,1-2H3,(H,30,34)/t19-,29+/m0/s1
• InChIKey: IWZJXZUGDODYRT-ADXZGYQBSA-N
• XLogP: 3.01
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide?

The IUPAC name of (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide (CID 118958508) is (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide.

What is the SMILES notation for (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide?

The canonical SMILES for (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide is COCCNC(=O)c1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O.

What is the InChIKey of (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide?

The InChIKey is IWZJXZUGDODYRT-ADXZGYQBSA-N. The full InChI is InChI=1S/C29H33N3O6/c1-19(21-8-9-21)31(17-20-6-4-3-5-7-20)25(33)18-32-27(35)29(38-28(32)36)13-12-22-16-23(10-11-24(22)29)26(34)30-14-15-37-2/h3-7,10-11,16,19,21H,8-9,12-15,17-18H2,1-2H3,(H,30,34)/t19-,29+/m0/s1.

What are the key properties of (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide?

(5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide is sourced from PubChem (CID 118958508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).