N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C25H28N4O3 — CID 38749385

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2N2CCc3ccccc32)C(=O)C12CCCCC2
InChIInChI=1S/C25H28N4O3/c1-27-24(32)29(23(31)25(27)14-7-2-8-15-25)17-22(30)26-19-10-4-6-12-21(19)28-16-13-18-9-3-5-11-20(18)28/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,26,30)
InChIKeyJEYVXJICBBUDOU-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.92
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 38749385) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID38749385
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2N2CCc3ccccc32)C(=O)C12CCCCC2
InChIInChI=1S/C25H28N4O3/c1-27-24(32)29(23(31)25(27)14-7-2-8-15-25)17-22(30)26-19-10-4-6-12-21(19)28-16-13-18-9-3-5-11-20(18)28/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,26,30)
InChIKeyJEYVXJICBBUDOU-UHFFFAOYSA-N
XLogP3.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 38749385) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN1C(=O)N(CC(=O)Nc2ccccc2N2CCc3ccccc32)C(=O)C12CCCCC2.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JEYVXJICBBUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-27-24(32)29(23(31)25(27)14-7-2-8-15-25)17-22(30)26-19-10-4-6-12-21(19)28-16-13-18-9-3-5-11-20(18)28/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,26,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 432.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 38749385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).