2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide

C21H28N4O4 — CID 55612985

IUPAC2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)N(C)C)C2=O
InChIInChI=1S/C21H28N4O4/c1-4-14-9-11-21(12-10-14)19(28)25(20(29)23-21)13-17(26)22-16-8-6-5-7-15(16)18(27)24(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,22,26)(H,23,29)
InChIKeyZMVZGSRPHYPPLN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.22
Rot. Bonds5

About 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide

2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 55612985) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID55612985
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)N(C)C)C2=O
InChIInChI=1S/C21H28N4O4/c1-4-14-9-11-21(12-10-14)19(28)25(20(29)23-21)13-17(26)22-16-8-6-5-7-15(16)18(27)24(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,22,26)(H,23,29)
InChIKeyZMVZGSRPHYPPLN-UHFFFAOYSA-N
XLogP2.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-pyridin-2-ylacetamide
CID 51266020
methyl 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 2701716
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55895207
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-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119618318
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 55612985) is 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)N(C)C)C2=O.
What is the InChIKey of 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZMVZGSRPHYPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-4-14-9-11-21(12-10-14)19(28)25(20(29)23-21)13-17(26)22-16-8-6-5-7-15(16)18(27)24(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,22,26)(H,23,29).
What are the key properties of 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 55612985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).