4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C20H25N3O5 — CID 91891753

IUPAC4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O5/c24-17(21-12-16-2-1-9-28-16)15-5-3-14(4-6-15)13-23-18(25)20(22-19(23)26)7-10-27-11-8-20/h3-6,16H,1-2,7-13H2,(H,21,24)(H,22,26)
InChIKeySDLILPUFOWDBAM-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.20
Rot. Bonds5

About 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 91891753) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID91891753
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1
InChIInChI=1S/C20H25N3O5/c24-17(21-12-16-2-1-9-28-16)15-5-3-14(4-6-15)13-23-18(25)20(22-19(23)26)7-10-27-11-8-20/h3-6,16H,1-2,7-13H2,(H,21,24)(H,22,26)
InChIKeySDLILPUFOWDBAM-UHFFFAOYSA-N
XLogP1.20
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 91891753) is 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1.
What is the InChIKey of 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SDLILPUFOWDBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c24-17(21-12-16-2-1-9-28-16)15-5-3-14(4-6-15)13-23-18(25)20(22-19(23)26)7-10-27-11-8-20/h3-6,16H,1-2,7-13H2,(H,21,24)(H,22,26).
What are the key properties of 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 91891753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).