3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide

C15H22N2O5 — CID 58069427

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide
SMILESCCCC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H22N2O5/c1-2-3-12(18)7-10-22-11-8-16-13(19)6-9-17-14(20)4-5-15(17)21/h4-5H,2-3,6-11H2,1H3,(H,16,19)
InChIKeyBWLHUDAKSNOZCM-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.19
Rot. Bonds11

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide (PubChem CID 58069427) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide
PubChem CID58069427
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide
SMILESCCCC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C15H22N2O5/c1-2-3-12(18)7-10-22-11-8-16-13(19)6-9-17-14(20)4-5-15(17)21/h4-5H,2-3,6-11H2,1H3,(H,16,19)
InChIKeyBWLHUDAKSNOZCM-UHFFFAOYSA-N
XLogP0.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide (CID 58069427) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide is CCCC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide?
The InChIKey is BWLHUDAKSNOZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-2-3-12(18)7-10-22-11-8-16-13(19)6-9-17-14(20)4-5-15(17)21/h4-5H,2-3,6-11H2,1H3,(H,16,19).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide has a molecular weight of 310.35 g/mol, XLogP of 0.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide is sourced from PubChem (CID 58069427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).