3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide

C19H31N3O6 — CID 58112360

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide
SMILESCCCCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O6/c1-2-3-4-9-20-17(24)8-12-27-14-15-28-13-10-21-16(23)7-11-22-18(25)5-6-19(22)26/h5-6H,2-4,7-15H2,1H3,(H,20,24)(H,21,23)
InChIKeyOMJQXAIQPZRGMF-UHFFFAOYSA-N
MW397.47 g/mol
LogP0.15
Rot. Bonds16

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide (PubChem CID 58112360) has the molecular formula C19H31N3O6 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide
PubChem CID58112360
Molecular FormulaC19H31N3O6
Molecular Weight397.47 g/mol
Exact Mass397.22
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide
SMILESCCCCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H31N3O6/c1-2-3-4-9-20-17(24)8-12-27-14-15-28-13-10-21-16(23)7-11-22-18(25)5-6-19(22)26/h5-6H,2-4,7-15H2,1H3,(H,20,24)(H,21,23)
InChIKeyOMJQXAIQPZRGMF-UHFFFAOYSA-N
XLogP0.15
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 50.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide (CID 58112360) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide is CCCCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide?
The InChIKey is OMJQXAIQPZRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6/c1-2-3-4-9-20-17(24)8-12-27-14-15-28-13-10-21-16(23)7-11-22-18(25)5-6-19(22)26/h5-6H,2-4,7-15H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide has a molecular weight of 397.47 g/mol, XLogP of 0.15, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-oxo-3-(pentylamino)propoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 58112360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).