2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide

C30H35FN4O4 — CID 135205299

About 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide

2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 135205299) has the molecular formula C30H35FN4O4 and a molecular weight of 534.63 g/mol. Its IUPAC name is 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
• PubChem CID: 135205299
• Molecular Formula: C30H35FN4O4
• Molecular Weight: 534.63 g/mol
• Exact Mass: 534.26
• IUPAC Name: 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
• SMILES: CC(c1ccc(F)cc1)N(C(=O)CN1C(=O)OC2(CCc3cc(NCC4(N)CC4)ccc32)C1=O)[C@@H](C)C1CC1
• InChI: InChI=1S/C30H35FN4O4/c1-18(20-3-4-20)35(19(2)21-5-7-23(31)8-6-21)26(36)16-34-27(37)30(39-28(34)38)12-11-22-15-24(9-10-25(22)30)33-17-29(32)13-14-29/h5-10,15,18-20,33H,3-4,11-14,16-17,32H2,1-2H3/t18-,19?,30?/m0/s1
• InChIKey: KATBQODCHOOPTA-QRDGJHIOSA-N
• XLogP: 4.24
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.63
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 135205299) is 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(c1ccc(F)cc1)N(C(=O)CN1C(=O)OC2(CCc3cc(NCC4(N)CC4)ccc32)C1=O)[C@@H](C)C1CC1.

What is the InChIKey of 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide?

The InChIKey is KATBQODCHOOPTA-QRDGJHIOSA-N. The full InChI is InChI=1S/C30H35FN4O4/c1-18(20-3-4-20)35(19(2)21-5-7-23(31)8-6-21)26(36)16-34-27(37)30(39-28(34)38)12-11-22-15-24(9-10-25(22)30)33-17-29(32)13-14-29/h5-10,15,18-20,33H,3-4,11-14,16-17,32H2,1-2H3/t18-,19?,30?/m0/s1.

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

2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 534.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 135205299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).