2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C20H26N4O4 — CID 2622591

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H26N4O4/c25-17(14-24-18(26)20(22-19(24)27)8-2-1-3-9-20)21-15-4-6-16(7-5-15)23-10-12-28-13-11-23/h4-7H,1-3,8-14H2,(H,21,25)(H,22,27)
InChIKeyPCBFAZONUDSHMQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.72
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2622591) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2622591
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H26N4O4/c25-17(14-24-18(26)20(22-19(24)27)8-2-1-3-9-20)21-15-4-6-16(7-5-15)23-10-12-28-13-11-23/h4-7H,1-3,8-14H2,(H,21,25)(H,22,27)
InChIKeyPCBFAZONUDSHMQ-UHFFFAOYSA-N
XLogP1.72
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2622591) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is PCBFAZONUDSHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-17(14-24-18(26)20(22-19(24)27)8-2-1-3-9-20)21-15-4-6-16(7-5-15)23-10-12-28-13-11-23/h4-7H,1-3,8-14H2,(H,21,25)(H,22,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2622591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).