N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide

C17H20N4O7 — CID 24557174

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20N4O7/c1-27-12-6-5-11(21(25)26)9-13(12)28-10-14(22)19-20-15(23)17(18-16(20)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,24)(H,19,22)
InChIKeyRWJJLNUQRLDLCN-UHFFFAOYSA-N
MW392.37 g/mol
LogP1.27
Rot. Bonds6

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 24557174) has the molecular formula C17H20N4O7 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID24557174
Molecular FormulaC17H20N4O7
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20N4O7/c1-27-12-6-5-11(21(25)26)9-13(12)28-10-14(22)19-20-15(23)17(18-16(20)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,24)(H,19,22)
InChIKeyRWJJLNUQRLDLCN-UHFFFAOYSA-N
XLogP1.27
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918362
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
CID 56502717
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767775
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9136775

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 24557174) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is RWJJLNUQRLDLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7/c1-27-12-6-5-11(21(25)26)9-13(12)28-10-14(22)19-20-15(23)17(18-16(20)24)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,24)(H,19,22).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 392.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 24557174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).