1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C14H24N2O3 — CID 104649853

IUPAC1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCCCN1C(=O)NC(=O)C12CCC(C)CC2
InChIInChI=1S/C14H24N2O3/c1-11-5-7-14(8-6-11)12(17)15-13(18)16(14)9-3-4-10-19-2/h11H,3-10H2,1-2H3,(H,15,17,18)
InChIKeyBQPSGWBLEUXUTR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds5

About 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 104649853) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID104649853
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCCCN1C(=O)NC(=O)C12CCC(C)CC2
InChIInChI=1S/C14H24N2O3/c1-11-5-7-14(8-6-11)12(17)15-13(18)16(14)9-3-4-10-19-2/h11H,3-10H2,1-2H3,(H,15,17,18)
InChIKeyBQPSGWBLEUXUTR-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione 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

1-(4-methoxybutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 113437173
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104567461
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
CID 104650419
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 83168970
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 65165016
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 104649853) is 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COCCCCN1C(=O)NC(=O)C12CCC(C)CC2.
What is the InChIKey of 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BQPSGWBLEUXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-5-7-14(8-6-11)12(17)15-13(18)16(14)9-3-4-10-19-2/h11H,3-10H2,1-2H3,(H,15,17,18).
What are the key properties of 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 104649853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).