2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide

C24H27N3O3 — CID 56522565

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
SMILESCC(C(=O)NC(C)(c1ccccc1)c1ccccc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C24H27N3O3/c1-17(27-21(29)24(26-22(27)30)15-9-10-16-24)20(28)25-23(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyRGDLXFAGTWNFJP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.32
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide (PubChem CID 56522565) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
PubChem CID56522565
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
SMILESCC(C(=O)NC(C)(c1ccccc1)c1ccccc1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C24H27N3O3/c1-17(27-21(29)24(26-22(27)30)15-9-10-16-24)20(28)25-23(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyRGDLXFAGTWNFJP-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide (CID 56522565) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide is CC(C(=O)NC(C)(c1ccccc1)c1ccccc1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide?
The InChIKey is RGDLXFAGTWNFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(27-21(29)24(26-22(27)30)15-9-10-16-24)20(28)25-23(2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide is sourced from PubChem (CID 56522565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).