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

C13H22N4O3 — CID 119405447

IUPACN-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESNCCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N4O3/c14-7-4-8-15-10(18)9-17-11(19)13(16-12(17)20)5-2-1-3-6-13/h1-9,14H2,(H,15,18)(H,16,20)
InChIKeyOOJBGZNXUDPLBF-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.29
Rot. Bonds5

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

N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 119405447) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID119405447
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESNCCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N4O3/c14-7-4-8-15-10(18)9-17-11(19)13(16-12(17)20)5-2-1-3-6-13/h1-9,14H2,(H,15,18)(H,16,20)
InChIKeyOOJBGZNXUDPLBF-UHFFFAOYSA-N
XLogP-0.29
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119408013
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55452589
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 119405447) is N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is NCCCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OOJBGZNXUDPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-7-4-8-15-10(18)9-17-11(19)13(16-12(17)20)5-2-1-3-6-13/h1-9,14H2,(H,15,18)(H,16,20).
What are the key properties of N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 119405447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).