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

C30H35N3O4 — CID 11488952

IUPAC(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1
InChIInChI=1S/C30H35N3O4/c1-17(2)13-24-28(34)32-26(23-14-19-7-5-6-8-20(19)15-23)30(36)33(24)27(29(35)31-18(3)4)22-9-10-25-21(16-22)11-12-37-25/h5-12,16-18,23-24,26-27H,13-15H2,1-4H3,(H,31,35)(H,32,34)/t24-,26-,27-/m1/s1
InChIKeyDIHNBIJLWDSARE-ZRJLEYOISA-N
MW501.63 g/mol
LogP4.16
Rot. Bonds7

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

(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 11488952) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID11488952
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1
InChIInChI=1S/C30H35N3O4/c1-17(2)13-24-28(34)32-26(23-14-19-7-5-6-8-20(19)15-23)30(36)33(24)27(29(35)31-18(3)4)22-9-10-25-21(16-22)11-12-37-25/h5-12,16-18,23-24,26-27H,13-15H2,1-4H3,(H,31,35)(H,32,34)/t24-,26-,27-/m1/s1
InChIKeyDIHNBIJLWDSARE-ZRJLEYOISA-N
XLogP4.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide (CID 11488952) is (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1.
What is the InChIKey of (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DIHNBIJLWDSARE-ZRJLEYOISA-N. The full InChI is InChI=1S/C30H35N3O4/c1-17(2)13-24-28(34)32-26(23-14-19-7-5-6-8-20(19)15-23)30(36)33(24)27(29(35)31-18(3)4)22-9-10-25-21(16-22)11-12-37-25/h5-12,16-18,23-24,26-27H,13-15H2,1-4H3,(H,31,35)(H,32,34)/t24-,26-,27-/m1/s1.
What are the key properties of (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide?
(2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 501.63 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 11488952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).