3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide

C18H30N2O6 — CID 67977208

IUPAC3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
SMILESCCC1CC(=O)N(CCC(=O)NCCOCCOCC(=O)C(C)C)C1=O
InChIInChI=1S/C18H30N2O6/c1-4-14-11-17(23)20(18(14)24)7-5-16(22)19-6-8-25-9-10-26-12-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,22)
InChIKeyYVYICQOQAMFDNZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.54
Rot. Bonds13

About 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide

3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide (PubChem CID 67977208) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
PubChem CID67977208
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
SMILESCCC1CC(=O)N(CCC(=O)NCCOCCOCC(=O)C(C)C)C1=O
InChIInChI=1S/C18H30N2O6/c1-4-14-11-17(23)20(18(14)24)7-5-16(22)19-6-8-25-9-10-26-12-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,22)
InChIKeyYVYICQOQAMFDNZ-UHFFFAOYSA-N
XLogP0.54
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[4-oxo-4-(propan-2-ylamino)butoxy]ethyl]butanamide
CID 167208033
N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 156842258
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
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-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide (CID 67977208) is 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide is CCC1CC(=O)N(CCC(=O)NCCOCCOCC(=O)C(C)C)C1=O.
What is the InChIKey of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide?
The InChIKey is YVYICQOQAMFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-4-14-11-17(23)20(18(14)24)7-5-16(22)19-6-8-25-9-10-26-12-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,22).
What are the key properties of 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide?
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 0.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 67977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).