tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate

C35H39FN4O7 — CID 149075992

About tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate (PubChem CID 149075992) has the molecular formula C35H39FN4O7 and a molecular weight of 646.72 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate
• PubChem CID: 149075992
• Molecular Formula: C35H39FN4O7
• Molecular Weight: 646.72 g/mol
• Exact Mass: 646.28
• IUPAC Name: tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC32OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@@H]3C3CC3)C2=O)CC1
• InChI: InChI=1S/C35H39FN4O7/c1-33(2,3)46-31(44)38-34(14-15-34)29(42)37-25-9-10-26-22(17-25)12-13-35(26)30(43)40(32(45)47-35)19-28(41)39-18-23-6-8-24(36)16-21(23)7-11-27(39)20-4-5-20/h6,8-10,16-17,20,27H,4-5,7,11-15,18-19H2,1-3H3,(H,37,42)(H,38,44)/t27-,35?/m1/s1
• InChIKey: QOZRDYVPEVGHAM-SDTLAYBJSA-N
• XLogP: 4.70
• TPSA: 134.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.72
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate?

The IUPAC name of tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate (CID 149075992) is tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC32OC(=O)N(CC(=O)N3Cc4ccc(F)cc4CC[C@@H]3C3CC3)C2=O)CC1.

What is the InChIKey of tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate?

The InChIKey is QOZRDYVPEVGHAM-SDTLAYBJSA-N. The full InChI is InChI=1S/C35H39FN4O7/c1-33(2,3)46-31(44)38-34(14-15-34)29(42)37-25-9-10-26-22(17-25)12-13-35(26)30(43)40(32(45)47-35)19-28(41)39-18-23-6-8-24(36)16-21(23)7-11-27(39)20-4-5-20/h6,8-10,16-17,20,27H,4-5,7,11-15,18-19H2,1-3H3,(H,37,42)(H,38,44)/t27-,35?/m1/s1.

What are the key properties of tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate?

tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate has a molecular weight of 646.72 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[[3-[2-[(3R)-3-cyclopropyl-7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 149075992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).