(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide

C27H32F3N3O4 — CID 11421025

IUPAC(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C27H32F3N3O4/c1-14(2)11-19-24(34)32-22(18-12-16-7-5-6-8-17(16)13-18)26(36)33(19)23(25(35)31-15(3)4)20-9-10-21(37-20)27(28,29)30/h5-10,14-15,18-19,22-23H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t19-,22-,23-/m1/s1
InChIKeyWRYKATOCEQATEA-UEVCKROQSA-N
MW519.56 g/mol
LogP4.02
Rot. Bonds7

About (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide

(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide (PubChem CID 11421025) has the molecular formula C27H32F3N3O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide
PubChem CID11421025
Molecular FormulaC27H32F3N3O4
Molecular Weight519.56 g/mol
Exact Mass519.23
IUPAC Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C27H32F3N3O4/c1-14(2)11-19-24(34)32-22(18-12-16-7-5-6-8-17(16)13-18)26(36)33(19)23(25(35)31-15(3)4)20-9-10-21(37-20)27(28,29)30/h5-10,14-15,18-19,22-23H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t19-,22-,23-/m1/s1
InChIKeyWRYKATOCEQATEA-UEVCKROQSA-N
XLogP4.02
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide?
The IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide (CID 11421025) is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide?
The canonical SMILES for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1.
What is the InChIKey of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide?
The InChIKey is WRYKATOCEQATEA-UEVCKROQSA-N. The full InChI is InChI=1S/C27H32F3N3O4/c1-14(2)11-19-24(34)32-22(18-12-16-7-5-6-8-17(16)13-18)26(36)33(19)23(25(35)31-15(3)4)20-9-10-21(37-20)27(28,29)30/h5-10,14-15,18-19,22-23H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t19-,22-,23-/m1/s1.
What are the key properties of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide?
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide has a molecular weight of 519.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[5-(trifluoromethyl)furan-2-yl]acetamide is sourced from PubChem (CID 11421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).