8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H21N3O5 — CID 7170025

IUPAC8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5/c1-11-5-7-18(8-6-11)16(23)20(17(24)19-18)10-15(22)13-4-3-12(2)14(9-13)21(25)26/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24)
InChIKeyLBIOTUHQDCDZIL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.59
Rot. Bonds4

About 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7170025) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7170025
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5/c1-11-5-7-18(8-6-11)16(23)20(17(24)19-18)10-15(22)13-4-3-12(2)14(9-13)21(25)26/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24)
InChIKeyLBIOTUHQDCDZIL-UHFFFAOYSA-N
XLogP2.59
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
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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Related Compounds

N-(2,3-dimethyl-6-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7169987
N-(4,5-dimethyl-2-nitrophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240741
3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 131962870
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209641
1-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7850126
(5R)-5-[(2-methoxyphenyl)methyl]-5-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7565766
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
5,5-dicyclopropyl-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60619140
5,5-dimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623134
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17470835
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7170025) is 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-].
What is the InChIKey of 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LBIOTUHQDCDZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11-5-7-18(8-6-11)16(23)20(17(24)19-18)10-15(22)13-4-3-12(2)14(9-13)21(25)26/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24).
What are the key properties of 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 359.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7170025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).