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

C29H34N4O4 — CID 118958726

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

2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide (PubChem CID 118958726) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
• PubChem CID: 118958726
• Molecular Formula: C29H34N4O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.26
• IUPAC Name: 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
• SMILES: C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(N(C)C4CNC4)ccc32)C1=O
• InChI: InChI=1S/C29H34N4O4/c1-19(21-8-9-21)32(17-20-6-4-3-5-7-20)26(34)18-33-27(35)29(37-28(33)36)13-12-22-14-23(10-11-25(22)29)31(2)24-15-30-16-24/h3-7,10-11,14,19,21,24,30H,8-9,12-13,15-18H2,1-2H3/t19-,29?/m0/s1
• InChIKey: UGKNZWLIIJTPSC-KCHZNAQISA-N
• XLogP: 3.04
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide (CID 118958726) is 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide.

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

The canonical SMILES for 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(N(C)C4CNC4)ccc32)C1=O.

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

The InChIKey is UGKNZWLIIJTPSC-KCHZNAQISA-N. The full InChI is InChI=1S/C29H34N4O4/c1-19(21-8-9-21)32(17-20-6-4-3-5-7-20)26(34)18-33-27(35)29(37-28(33)36)13-12-22-14-23(10-11-25(22)29)31(2)24-15-30-16-24/h3-7,10-11,14,19,21,24,30H,8-9,12-13,15-18H2,1-2H3/t19-,29?/m0/s1.

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

2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide has a molecular weight of 502.62 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 118958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).