N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide

C15H23N3O5 — CID 59256329

IUPACN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide
SMILESCC(=O)CN(C)CCC(=O)NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O5/c1-12(19)11-17(2)7-5-13(20)16-6-9-23-10-8-18-14(21)3-4-15(18)22/h3-4H,5-11H2,1-2H3,(H,16,20)
InChIKeyNMIQGWUJQOFRMK-UHFFFAOYSA-N
MW325.37 g/mol
LogP-1.04
Rot. Bonds11

About N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide

N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide (PubChem CID 59256329) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide
PubChem CID59256329
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide
SMILESCC(=O)CN(C)CCC(=O)NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23N3O5/c1-12(19)11-17(2)7-5-13(20)16-6-9-23-10-8-18-14(21)3-4-15(18)22/h3-4H,5-11H2,1-2H3,(H,16,20)
InChIKeyNMIQGWUJQOFRMK-UHFFFAOYSA-N
XLogP-1.04
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.04
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

3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-(2-methoxyethoxy)ethyl)propanamide
CID 58005095
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 90184424
3-(2,5-dioxopyrrol-1-yl)-N-[2-(2-oxopropoxy)ethyl]propanamide
CID 22961656
3-(2,5-dioxopyrrol-1-yl)-N-(2-ethoxyethyl)propanamide
CID 23506200
m-PEG4-Mal
CID 51341049
m-PEG8-Mal
CID 51341050
1-[3-(2-Ethoxyethylamino)propyl]pyrrole-2,5-dione
CID 57573729
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(methylamino)-2-oxoethoxy]ethyl]propanamide
CID 57648845
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxobutoxy)ethyl]propanamide
CID 57747448
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-oxohexoxy)ethyl]propanamide
CID 58069427
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 58203288

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide?
The IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide (CID 59256329) is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide.
What is the SMILES notation for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide?
The canonical SMILES for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide is CC(=O)CN(C)CCC(=O)NCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide?
The InChIKey is NMIQGWUJQOFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-12(19)11-17(2)7-5-13(20)16-6-9-23-10-8-18-14(21)3-4-15(18)22/h3-4H,5-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide?
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide has a molecular weight of 325.37 g/mol, XLogP of -1.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-[methyl(2-oxopropyl)amino]propanamide is sourced from PubChem (CID 59256329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).