methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate

C15H24N2O6 — CID 21312561

IUPACmethyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate
SMILESCOC(=O)CCCN1C(=O)C(=O)N(CCCC(=O)OC)C1(C)C
InChIInChI=1S/C15H24N2O6/c1-15(2)16(9-5-7-11(18)22-3)13(20)14(21)17(15)10-6-8-12(19)23-4/h5-10H2,1-4H3
InChIKeyAROUZYUWPVCRHJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.30
Rot. Bonds8

About methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate

methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate (PubChem CID 21312561) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate
PubChem CID21312561
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Namemethyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate
SMILESCOC(=O)CCCN1C(=O)C(=O)N(CCCC(=O)OC)C1(C)C
InChIInChI=1S/C15H24N2O6/c1-15(2)16(9-5-7-11(18)22-3)13(20)14(21)17(15)10-6-8-12(19)23-4/h5-10H2,1-4H3
InChIKeyAROUZYUWPVCRHJ-UHFFFAOYSA-N
XLogP0.30
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate?
The IUPAC name of methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate (CID 21312561) is methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate is COC(=O)CCCN1C(=O)C(=O)N(CCCC(=O)OC)C1(C)C.
What is the InChIKey of methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate?
The InChIKey is AROUZYUWPVCRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-15(2)16(9-5-7-11(18)22-3)13(20)14(21)17(15)10-6-8-12(19)23-4/h5-10H2,1-4H3.
What are the key properties of methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate?
methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate has a molecular weight of 328.37 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate is sourced from PubChem (CID 21312561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).