5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione

C12H19N3O4 — CID 60655462

IUPAC5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-12(2)10(17)15(11(18)13-12)4-3-9(16)14-5-7-19-8-6-14/h3-8H2,1-2H3,(H,13,18)
InChIKeyFVXACZQMQVLSFU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.43
Rot. Bonds3

About 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione (PubChem CID 60655462) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
PubChem CID60655462
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-12(2)10(17)15(11(18)13-12)4-3-9(16)14-5-7-19-8-6-14/h3-8H2,1-2H3,(H,13,18)
InChIKeyFVXACZQMQVLSFU-UHFFFAOYSA-N
XLogP-0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 115775078
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
3-[2-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 110108289
3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 125012464
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
CID 113224932
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione (CID 60655462) is 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The InChIKey is FVXACZQMQVLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2)10(17)15(11(18)13-12)4-3-9(16)14-5-7-19-8-6-14/h3-8H2,1-2H3,(H,13,18).
What are the key properties of 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 60655462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).