2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide

C21H29N3O4 — CID 53389146

IUPAC2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide
SMILESCN1CC(=O)N(CC(=O)NOCc2ccccc2)C(=O)C12CCCCCCC2
InChIInChI=1S/C21H29N3O4/c1-23-15-19(26)24(20(27)21(23)12-8-3-2-4-9-13-21)14-18(25)22-28-16-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3,(H,22,25)
InChIKeyLNYLGHXUHBBWTA-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.02
Rot. Bonds5

About 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide

2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide (PubChem CID 53389146) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide
PubChem CID53389146
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide
SMILESCN1CC(=O)N(CC(=O)NOCc2ccccc2)C(=O)C12CCCCCCC2
InChIInChI=1S/C21H29N3O4/c1-23-15-19(26)24(20(27)21(23)12-8-3-2-4-9-13-21)14-18(25)22-28-16-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3,(H,22,25)
InChIKeyLNYLGHXUHBBWTA-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide (CID 53389146) is 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide is CN1CC(=O)N(CC(=O)NOCc2ccccc2)C(=O)C12CCCCCCC2.
What is the InChIKey of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide?
The InChIKey is LNYLGHXUHBBWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-23-15-19(26)24(20(27)21(23)12-8-3-2-4-9-13-21)14-18(25)22-28-16-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3,(H,22,25).
What are the key properties of 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide?
2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide has a molecular weight of 387.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 53389146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).