3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide

C15H24N2O4 — CID 173035040

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
SMILESO=CCCCCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O4/c18-12-6-4-2-1-3-5-10-16-13(19)9-11-17-14(20)7-8-15(17)21/h12H,1-11H2,(H,16,19)
InChIKeyIUXIYXSXVROANF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.18
Rot. Bonds11

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide (PubChem CID 173035040) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
PubChem CID173035040
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
SMILESO=CCCCCCCCNC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O4/c18-12-6-4-2-1-3-5-10-16-13(19)9-11-17-14(20)7-8-15(17)21/h12H,1-11H2,(H,16,19)
InChIKeyIUXIYXSXVROANF-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
CID 173041164
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
4-amino-N-(6-oxohexyl)butanamide
CID 155175150
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
CID 165403538
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide (CID 173035040) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide is O=CCCCCCCCNC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide?
The InChIKey is IUXIYXSXVROANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-12-6-4-2-1-3-5-10-16-13(19)9-11-17-14(20)7-8-15(17)21/h12H,1-11H2,(H,16,19).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide is sourced from PubChem (CID 173035040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).