N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H30N4O3 — CID 55452589

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(CCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1
InChIInChI=1S/C21H30N4O3/c1-24(15-17-9-4-2-5-10-17)14-8-13-22-18(26)16-25-19(27)21(23-20(25)28)11-6-3-7-12-21/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,22,26)(H,23,28)
InChIKeyICJIUTHEUBCJEH-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.88
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55452589) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55452589
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(CCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1
InChIInChI=1S/C21H30N4O3/c1-24(15-17-9-4-2-5-10-17)14-8-13-22-18(26)16-25-19(27)21(23-20(25)28)11-6-3-7-12-21/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,22,26)(H,23,28)
InChIKeyICJIUTHEUBCJEH-UHFFFAOYSA-N
XLogP1.88
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 175667222
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115
N-[3-[benzyl(methyl)amino]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 46328251
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide
CID 162676478
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340418

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55452589) is N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(CCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ICJIUTHEUBCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-24(15-17-9-4-2-5-10-17)14-8-13-22-18(26)16-25-19(27)21(23-20(25)28)11-6-3-7-12-21/h2,4-5,9-10H,3,6-8,11-16H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55452589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).