3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

C14H22N2O4 — CID 107507645

IUPAC3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCOCC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-20-10-11(17)9-16-12(18)14(15-13(16)19)7-5-3-2-4-6-8-14/h2-10H2,1H3,(H,15,19)
InChIKeyOXYRJYQVXAKVOD-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.24
Rot. Bonds4

About 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 107507645) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID107507645
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCOCC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C14H22N2O4/c1-20-10-11(17)9-16-12(18)14(15-13(16)19)7-5-3-2-4-6-8-14/h2-10H2,1H3,(H,15,19)
InChIKeyOXYRJYQVXAKVOD-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-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

3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(methylcarbamoyl)acetamide
CID 2633637
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
methyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 7609865
3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4813100
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 107507645) is 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is COCC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is OXYRJYQVXAKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-10-11(17)9-16-12(18)14(15-13(16)19)7-5-3-2-4-6-8-14/h2-10H2,1H3,(H,15,19).
What are the key properties of 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 107507645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).