3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione

C17H26N2O6 — CID 163797402

IUPAC3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOC(C)(C)OCCN2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C17H26N2O6/c1-11-9-13(20)18(15(11)22)5-7-24-17(3,4)25-8-6-19-14(21)10-12(2)16(19)23/h11-12H,5-10H2,1-4H3
InChIKeyNCAFUVRHVCCEKL-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.55
Rot. Bonds8

About 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 163797402) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
PubChem CID163797402
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOC(C)(C)OCCN2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C17H26N2O6/c1-11-9-13(20)18(15(11)22)5-7-24-17(3,4)25-8-6-19-14(21)10-12(2)16(19)23/h11-12H,5-10H2,1-4H3
InChIKeyNCAFUVRHVCCEKL-UHFFFAOYSA-N
XLogP0.55
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 139406493
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
CID 59941556
CID 59941556
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
3-methyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 54496273
3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 134408422
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione (CID 163797402) is 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CCOC(C)(C)OCCN2C(=O)CC(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is NCAFUVRHVCCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-11-9-13(20)18(15(11)22)5-7-24-17(3,4)25-8-6-19-14(21)10-12(2)16(19)23/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 354.40 g/mol, XLogP of 0.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 163797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).