ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide

C18H38N2O3 — CID 166462605

IUPACethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCC.CC.CC.CC(C)C(C)C1CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C12H20N2O3.3C2H6/c1-7(2)8(3)9-6-11(16)14(12(9)17)5-4-10(13)15;3*1-2/h7-9H,4-6H2,1-3H3,(H2,13,15);3*1-2H3
InChIKeyQAEHQQPCNXGHEV-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.61
Rot. Bonds5

About ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide

ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 166462605) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Nameethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID166462605
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nameethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCC.CC.CC.CC(C)C(C)C1CC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C12H20N2O3.3C2H6/c1-7(2)8(3)9-6-11(16)14(12(9)17)5-4-10(13)15;3*1-2/h7-9H,4-6H2,1-3H3,(H2,13,15);3*1-2H3
InChIKeyQAEHQQPCNXGHEV-UHFFFAOYSA-N
XLogP3.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide (CID 166462605) is ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide is CC.CC.CC.CC(C)C(C)C1CC(=O)N(CCC(N)=O)C1=O.
What is the InChIKey of ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is QAEHQQPCNXGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3.3C2H6/c1-7(2)8(3)9-6-11(16)14(12(9)17)5-4-10(13)15;3*1-2/h7-9H,4-6H2,1-3H3,(H2,13,15);3*1-2H3.
What are the key properties of ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide?
ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 330.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 166462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).