1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione

C17H29NO4 — CID 155076992

IUPAC1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione
SMILESCC(C)COC(C)(C)COC(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29NO4/c1-13(2)11-21-17(5,6)12-22-16(3,4)9-10-18-14(19)7-8-15(18)20/h7-8,13H,9-12H2,1-6H3
InChIKeyOBEQZKNZLDLCTG-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.55
Rot. Bonds9

About 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione

1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione (PubChem CID 155076992) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione
PubChem CID155076992
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione
SMILESCC(C)COC(C)(C)COC(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H29NO4/c1-13(2)11-21-17(5,6)12-22-16(3,4)9-10-18-14(19)7-8-15(18)20/h7-8,13H,9-12H2,1-6H3
InChIKeyOBEQZKNZLDLCTG-UHFFFAOYSA-N
XLogP2.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-[4-(2,5-dioxopyrrol-1-yl)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoate
CID 134213114
N-[2,5-dimethyl-5-(2-methylpropoxy)hexan-2-yl]-3-(2,5-dioxopyrrol-1-yl)-3-methylbutanamide
CID 130319946
1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
CID 67149618
2,2-dimethyl-4-[2-methyl-4-(2-oxo-5-phosphanylidenepyrrol-1-yl)butan-2-yl]oxybutanal
CID 177144743
[2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-3-oxopropoxy]-3-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]carbamoyloxy]propyl] N-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]carbamate
CID 166482009
[2-[4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-4-oxobutoxy]-3-[[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]carbamoyloxy]propyl] N-[3-(2-methoxy-2-methylpropoxy)-3-methylbutyl]carbamate
CID 166482014
1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
CID 91352575
1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 19880482
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione
CID 90178729
2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
CID 176791434
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione (CID 155076992) is 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione is CC(C)COC(C)(C)COC(C)(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione?
The InChIKey is OBEQZKNZLDLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-13(2)11-21-17(5,6)12-22-16(3,4)9-10-18-14(19)7-8-15(18)20/h7-8,13H,9-12H2,1-6H3.
What are the key properties of 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione?
1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione has a molecular weight of 311.42 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione is sourced from PubChem (CID 155076992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).