3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide

C18H28N2O6 — CID 156842258

IUPAC3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
SMILESC=C(C)C1CC(=O)N(CCC(=O)NCCOCCOCCC(C)=O)C1=O
InChIInChI=1S/C18H28N2O6/c1-13(2)15-12-17(23)20(18(15)24)7-4-16(22)19-6-9-26-11-10-25-8-5-14(3)21/h15H,1,4-12H2,2-3H3,(H,19,22)
InChIKeyPMWZLYPMGGQKCB-UHFFFAOYSA-N
MW368.43 g/mol
LogP0.46
Rot. Bonds13

About 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide

3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide (PubChem CID 156842258) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
PubChem CID156842258
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
SMILESC=C(C)C1CC(=O)N(CCC(=O)NCCOCCOCCC(C)=O)C1=O
InChIInChI=1S/C18H28N2O6/c1-13(2)15-12-17(23)20(18(15)24)7-4-16(22)19-6-9-26-11-10-25-8-5-14(3)21/h15H,1,4-12H2,2-3H3,(H,19,22)
InChIKeyPMWZLYPMGGQKCB-UHFFFAOYSA-N
XLogP0.46
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane;molecular hydrogen
CID 162430872
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 89469249
3-[4-[3-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]phenyl]-N-(3-oxobutyl)propanamide
CID 70959234
(2S)-3-methyl-2-[3-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-N-(2-oxopropyl)butanamide
CID 144981797
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
N-[2-[2-[2-(3-ethyl-3-methylpentoxy)ethoxy]ethoxy]ethyl]-3-[3-(2-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462537
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 67977208

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide (CID 156842258) is 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide is C=C(C)C1CC(=O)N(CCC(=O)NCCOCCOCCC(C)=O)C1=O.
What is the InChIKey of 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
The InChIKey is PMWZLYPMGGQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-13(2)15-12-17(23)20(18(15)24)7-4-16(22)19-6-9-26-11-10-25-8-5-14(3)21/h15H,1,4-12H2,2-3H3,(H,19,22).
What are the key properties of 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide?
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide has a molecular weight of 368.43 g/mol, XLogP of 0.46, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 156842258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).