N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione

C14H26N2O4S — CID 123756990

IUPACN-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCCCC(=O)NC(C)OCC.CSC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H17NO2.C6H9NO2S/c1-4-6-8(10)9-7(3)11-5-2;1-7-5(8)3-4(10-2)6(7)9/h7H,4-6H2,1-3H3,(H,9,10);4H,3H2,1-2H3
InChIKeyGIFRIGAYMDFQFK-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.39
Rot. Bonds6

About N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione

N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 123756990) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID123756990
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCCCC(=O)NC(C)OCC.CSC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H17NO2.C6H9NO2S/c1-4-6-8(10)9-7(3)11-5-2;1-7-5(8)3-4(10-2)6(7)9/h7H,4-6H2,1-3H3,(H,9,10);4H,3H2,1-2H3
InChIKeyGIFRIGAYMDFQFK-UHFFFAOYSA-N
XLogP1.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione (CID 123756990) is N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione is CCCC(=O)NC(C)OCC.CSC1CC(=O)N(C)C1=O.
What is the InChIKey of N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is GIFRIGAYMDFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C6H9NO2S/c1-4-6-8(10)9-7(3)11-5-2;1-7-5(8)3-4(10-2)6(7)9/h7H,4-6H2,1-3H3,(H,9,10);4H,3H2,1-2H3.
What are the key properties of N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?
N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 318.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)butanamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 123756990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).