2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide

C17H20N4O5 — CID 40841015

IUPAC2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O
InChIInChI=1S/C17H20N4O5/c1-11-4-2-3-9-17(11)15(23)20(16(24)19-17)10-14(22)18-12-5-7-13(8-6-12)21(25)26/h5-8,11H,2-4,9-10H2,1H3,(H,18,22)(H,19,24)/t11-,17-/m1/s1
InChIKeyKSYDHHQYPHZTRH-PIGZYNQJSA-N
MW360.37 g/mol
LogP2.03
Rot. Bonds4

About 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 40841015) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide
PubChem CID40841015
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O
InChIInChI=1S/C17H20N4O5/c1-11-4-2-3-9-17(11)15(23)20(16(24)19-17)10-14(22)18-12-5-7-13(8-6-12)21(25)26/h5-8,11H,2-4,9-10H2,1H3,(H,18,22)(H,19,24)/t11-,17-/m1/s1
InChIKeyKSYDHHQYPHZTRH-PIGZYNQJSA-N
XLogP2.03
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 ≤ 52.03
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'}

Analyze 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
N-(2-chloro-5-nitrophenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6598296
N-(4-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585170
N-(4-acetylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585168
methyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7639907
N-(4-cyclopentylsulfanylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55599346
N-(4-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181712
N-(4-butylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181711
ethyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 2585146
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
N-(4-imidazol-1-ylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55531103

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide (CID 40841015) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O.
What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is KSYDHHQYPHZTRH-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-11-4-2-3-9-17(11)15(23)20(16(24)19-17)10-14(22)18-12-5-7-13(8-6-12)21(25)26/h5-8,11H,2-4,9-10H2,1H3,(H,18,22)(H,19,24)/t11-,17-/m1/s1.
What are the key properties of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide?
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 360.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 40841015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).