N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide

C16H28N4O3 — CID 119653106

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N4O3/c1-15(2,10-17)11-19(3)12(21)9-20-13(22)16(18-14(20)23)7-5-4-6-8-16/h4-11,17H2,1-3H3,(H,18,23)
InChIKeyKHIYHOUWPNLBSK-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.68
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (PubChem CID 119653106) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
PubChem CID119653106
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
SMILESCN(CC(C)(C)CN)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H28N4O3/c1-15(2,10-17)11-19(3)12(21)9-20-13(22)16(18-14(20)23)7-5-4-6-8-16/h4-11,17H2,1-3H3,(H,18,23)
InChIKeyKHIYHOUWPNLBSK-UHFFFAOYSA-N
XLogP0.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
CID 9362019
N-(3-amino-2,2-dimethylpropyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 119655063
N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 119582843
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
CID 119656734
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9401664
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide (CID 119653106) is N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide is CN(CC(C)(C)CN)C(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
The InChIKey is KHIYHOUWPNLBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-15(2,10-17)11-19(3)12(21)9-20-13(22)16(18-14(20)23)7-5-4-6-8-16/h4-11,17H2,1-3H3,(H,18,23).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide has a molecular weight of 324.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide is sourced from PubChem (CID 119653106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).