2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide

C18H23N3O4 — CID 91891707

IUPAC2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O4/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-25-12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24)
InChIKeyZBWFGTVKHVXCOV-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.84
Rot. Bonds6

About 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide

2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 91891707) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide
PubChem CID91891707
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O4/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-25-12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24)
InChIKeyZBWFGTVKHVXCOV-UHFFFAOYSA-N
XLogP0.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide (CID 91891707) is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide is O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCCc1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is ZBWFGTVKHVXCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-25-12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide?
2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 91891707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).