2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C21H28N4O4 — CID 2108764

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O
InChIInChI=1S/C21H28N4O4/c1-15-6-8-21(9-7-15)19(27)25(20(28)23-21)14-18(26)22-16-2-4-17(5-3-16)24-10-12-29-13-11-24/h2-5,15H,6-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyYEDYVDQYUQQGMQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.96
Rot. Bonds4

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2108764) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2108764
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O
InChIInChI=1S/C21H28N4O4/c1-15-6-8-21(9-7-15)19(27)25(20(28)23-21)14-18(26)22-16-2-4-17(5-3-16)24-10-12-29-13-11-24/h2-5,15H,6-14H2,1H3,(H,22,26)(H,23,28)
InChIKeyYEDYVDQYUQQGMQ-UHFFFAOYSA-N
XLogP1.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.96
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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2108764) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is YEDYVDQYUQQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15-6-8-21(9-7-15)19(27)25(20(28)23-21)14-18(26)22-16-2-4-17(5-3-16)24-10-12-29-13-11-24/h2-5,15H,6-14H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2108764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).