3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione

C16H27NO5 — CID 139406493

IUPAC3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione
SMILESCC(=O)CC(C)OCC(C)(C)OCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H27NO5/c1-11-8-14(19)17(15(11)20)6-7-22-16(4,5)10-21-13(3)9-12(2)18/h11,13H,6-10H2,1-5H3
InChIKeyJJEWKDOGTYKGJR-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.56
Rot. Bonds9

About 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione

3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione (PubChem CID 139406493) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione
PubChem CID139406493
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione
SMILESCC(=O)CC(C)OCC(C)(C)OCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H27NO5/c1-11-8-14(19)17(15(11)20)6-7-22-16(4,5)10-21-13(3)9-12(2)18/h11,13H,6-10H2,1-5H3
InChIKeyJJEWKDOGTYKGJR-UHFFFAOYSA-N
XLogP1.56
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
CID 155571740
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
CID 155472486
1-(3,20-dioxohenicosyl)-3-methylpyrrolidine-2,5-dione
CID 58143563
N-acetyl-2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-4-oxohexanamide
CID 159447859
N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 166802488
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-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione (CID 139406493) is 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione is CC(=O)CC(C)OCC(C)(C)OCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione?
The InChIKey is JJEWKDOGTYKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-11-8-14(19)17(15(11)20)6-7-22-16(4,5)10-21-13(3)9-12(2)18/h11,13H,6-10H2,1-5H3.
What are the key properties of 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione has a molecular weight of 313.39 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139406493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).