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

C29H32N4O5 — CID 118957606

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

N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide (PubChem CID 118957606) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
• PubChem CID: 118957606
• Molecular Formula: C29H32N4O5
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
• SMILES: C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)OC2(CCc3cc(NC(=O)C4CNC4)ccc32)C1=O
• InChI: InChI=1S/C29H32N4O5/c1-18(20-7-8-20)32(16-19-5-3-2-4-6-19)25(34)17-33-27(36)29(38-28(33)37)12-11-21-13-23(9-10-24(21)29)31-26(35)22-14-30-15-22/h2-6,9-10,13,18,20,22,30H,7-8,11-12,14-17H2,1H3,(H,31,35)/t18-,29?/m0/s1
• InChIKey: OIOPIQSETXAWDP-STFFIMJZSA-N
• XLogP: 2.79
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide (CID 118957606) is N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide.

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

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

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

The InChIKey is OIOPIQSETXAWDP-STFFIMJZSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-18(20-7-8-20)32(16-19-5-3-2-4-6-19)25(34)17-33-27(36)29(38-28(33)37)12-11-21-13-23(9-10-24(21)29)31-26(35)22-14-30-15-22/h2-6,9-10,13,18,20,22,30H,7-8,11-12,14-17H2,1H3,(H,31,35)/t18-,29?/m0/s1.

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

N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide is sourced from PubChem (CID 118957606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).