2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide

C17H20N4O5 — CID 3976162

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O5/c22-14(18-12-5-7-13(8-6-12)21(25)26)11-20-15(23)17(19-16(20)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,18,22)(H,19,24)
InChIKeyDGWKOHRBKAZFQL-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.18
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 3976162) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
PubChem CID3976162
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H20N4O5/c22-14(18-12-5-7-13(8-6-12)21(25)26)11-20-15(23)17(19-16(20)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,18,22)(H,19,24)
InChIKeyDGWKOHRBKAZFQL-UHFFFAOYSA-N
XLogP2.18
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide (CID 3976162) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is DGWKOHRBKAZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c22-14(18-12-5-7-13(8-6-12)21(25)26)11-20-15(23)17(19-16(20)24)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,18,22)(H,19,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.18, 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[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3976162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).