2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide

C16H18N4O5 — CID 4555282

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18N4O5/c1-10(13(21)17-11-5-4-6-12(9-11)20(24)25)19-14(22)16(18-15(19)23)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,21)(H,18,23)
InChIKeyARZFSPFPNJTXBG-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide (PubChem CID 4555282) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
PubChem CID4555282
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18N4O5/c1-10(13(21)17-11-5-4-6-12(9-11)20(24)25)19-14(22)16(18-15(19)23)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,21)(H,18,23)
InChIKeyARZFSPFPNJTXBG-UHFFFAOYSA-N
XLogP1.79
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.79
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[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide (CID 4555282) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide is CC(C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide?
The InChIKey is ARZFSPFPNJTXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-10(13(21)17-11-5-4-6-12(9-11)20(24)25)19-14(22)16(18-15(19)23)7-2-3-8-16/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,21)(H,18,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide has a molecular weight of 346.34 g/mol, XLogP of 1.79, 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[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 4555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).