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

C20H24N4O4 — CID 8748947

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N4O4/c25-16(9-13-24-18(27)20(22-19(24)28)10-1-2-11-20)21-14-5-7-15(8-6-14)23-12-3-4-17(23)26/h5-8H,1-4,9-13H2,(H,21,25)(H,22,28)
InChIKeyNGTBXVVVTIFUKS-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.01
Rot. Bonds5

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 8748947) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID8748947
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H24N4O4/c25-16(9-13-24-18(27)20(22-19(24)28)10-1-2-11-20)21-14-5-7-15(8-6-14)23-12-3-4-17(23)26/h5-8H,1-4,9-13H2,(H,21,25)(H,22,28)
InChIKeyNGTBXVVVTIFUKS-UHFFFAOYSA-N
XLogP2.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
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 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 8748947) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is NGTBXVVVTIFUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-16(9-13-24-18(27)20(22-19(24)28)10-1-2-11-20)21-14-5-7-15(8-6-14)23-12-3-4-17(23)26/h5-8H,1-4,9-13H2,(H,21,25)(H,22,28).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 8748947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).