2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide

C20H27N3O3 — CID 40748938

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1C)C2=O
InChIInChI=1S/C20H27N3O3/c1-3-15-8-10-20(11-9-15)18(25)23(19(26)22-20)13-17(24)21-12-16-7-5-4-6-14(16)2/h4-7,15H,3,8-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyLCCQBTYISXQOSZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.50
Rot. Bonds5

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 40748938) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID40748938
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1C)C2=O
InChIInChI=1S/C20H27N3O3/c1-3-15-8-10-20(11-9-15)18(25)23(19(26)22-20)13-17(24)21-12-16-7-5-4-6-14(16)2/h4-7,15H,3,8-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyLCCQBTYISXQOSZ-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55304263
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55612985
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
N-[2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55869488
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55369551

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide (CID 40748938) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1C)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is LCCQBTYISXQOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-15-8-10-20(11-9-15)18(25)23(19(26)22-20)13-17(24)21-12-16-7-5-4-6-14(16)2/h4-7,15H,3,8-13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 40748938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).