ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

C16H29NO5 — CID 176682927

IUPACethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC.CC(=O)COCCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H23NO5.C2H6/c1-10(2)12-8-13(17)15(14(12)18)4-5-19-6-7-20-9-11(3)16;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyXAHHQGHJDRTYFR-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.67
Rot. Bonds9

About ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione

ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 176682927) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID176682927
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nameethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC.CC(=O)COCCOCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C14H23NO5.C2H6/c1-10(2)12-8-13(17)15(14(12)18)4-5-19-6-7-20-9-11(3)16;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyXAHHQGHJDRTYFR-UHFFFAOYSA-N
XLogP1.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethoxyethoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 170045082
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
1-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 177233739
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 176682927) is ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is CC.CC(=O)COCCOCCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XAHHQGHJDRTYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5.C2H6/c1-10(2)12-8-13(17)15(14(12)18)4-5-19-6-7-20-9-11(3)16;1-2/h10,12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione?
ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 315.41 g/mol, XLogP of 1.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 176682927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).