N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

C13H22N4O3 — CID 119582843

IUPACN-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C13H22N4O3/c1-9(7-14)16(2)10(18)8-17-11(19)13(15-12(17)20)5-3-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,20)
InChIKeyPMXAFTGBACWQQS-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.34
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (PubChem CID 119582843) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
PubChem CID119582843
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C13H22N4O3/c1-9(7-14)16(2)10(18)8-17-11(19)13(15-12(17)20)5-3-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,20)
InChIKeyPMXAFTGBACWQQS-UHFFFAOYSA-N
XLogP-0.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.34
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

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
N-(1-aminopropan-2-yl)-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119584058
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 119653106
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
CID 9362019
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054178
2-[methyl-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]propanoic acid
CID 119358842
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-(2-methylpropyl)acetamide
CID 134058489
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide (CID 119582843) is N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is CC(CN)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
The InChIKey is PMXAFTGBACWQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(7-14)16(2)10(18)8-17-11(19)13(15-12(17)20)5-3-4-6-13/h9H,3-8,14H2,1-2H3,(H,15,20).
What are the key properties of N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide has a molecular weight of 282.34 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide is sourced from PubChem (CID 119582843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).