N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

C30H35N3O5 — CID 118958493

About N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118958493) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• PubChem CID: 118958493
• Molecular Formula: C30H35N3O5
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.26
• IUPAC Name: N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
• SMILES: C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(CN4CCOCC4)ccc32)C1=O
• InChI: InChI=1S/C30H35N3O5/c1-21(24-8-9-24)32(19-22-5-3-2-4-6-22)27(34)20-33-28(35)30(38-29(33)36)12-11-25-17-23(7-10-26(25)30)18-31-13-15-37-16-14-31/h2-7,10,17,21,24H,8-9,11-16,18-20H2,1H3/t21-,30?/m0/s1
• InChIKey: HKDXQCXTIUKGHW-UHWFRNQFSA-N
• XLogP: 3.47
• TPSA: 79.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The IUPAC name of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118958493) is N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

What is the SMILES notation for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The canonical SMILES for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(CN4CCOCC4)ccc32)C1=O.

What is the InChIKey of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

The InChIKey is HKDXQCXTIUKGHW-UHWFRNQFSA-N. The full InChI is InChI=1S/C30H35N3O5/c1-21(24-8-9-24)32(19-22-5-3-2-4-6-22)27(34)20-33-28(35)30(38-29(33)36)12-11-25-17-23(7-10-26(25)30)18-31-13-15-37-16-14-31/h2-7,10,17,21,24H,8-9,11-16,18-20H2,1H3/t21-,30?/m0/s1.

What are the key properties of N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?

N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 517.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118958493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).