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

C27H35N3O4 — CID 70993431

IUPAC2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
SMILESCc1ccc(C(C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1
InChIInChI=1S/C27H35N3O4/c1-15(2)12-21-25(31)29-23(20-13-18-8-6-7-9-19(18)14-20)27(33)30(21)24(26(32)28-16(3)4)22-11-10-17(5)34-22/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,28,32)(H,29,31)/t21-,23-,24?/m1/s1
InChIKeyQJFALSJVPBJZRP-UMBAGBCYSA-N
MW465.59 g/mol
LogP3.31
Rot. Bonds7

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

2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide (PubChem CID 70993431) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
PubChem CID70993431
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
SMILESCc1ccc(C(C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1
InChIInChI=1S/C27H35N3O4/c1-15(2)12-21-25(31)29-23(20-13-18-8-6-7-9-19(18)14-20)27(33)30(21)24(26(32)28-16(3)4)22-11-10-17(5)34-22/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,28,32)(H,29,31)/t21-,23-,24?/m1/s1
InChIKeyQJFALSJVPBJZRP-UMBAGBCYSA-N
XLogP3.31
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide (CID 70993431) is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide is Cc1ccc(C(C(=O)NC(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)C)o1.
What is the InChIKey of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The InChIKey is QJFALSJVPBJZRP-UMBAGBCYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-15(2)12-21-25(31)29-23(20-13-18-8-6-7-9-19(18)14-20)27(33)30(21)24(26(32)28-16(3)4)22-11-10-17(5)34-22/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,28,32)(H,29,31)/t21-,23-,24?/m1/s1.
What are the key properties of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide has a molecular weight of 465.59 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 70993431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).