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

C16H25N3O5 — CID 18345573

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
SMILESCCCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25N3O5/c1-2-3-4-8-17-14(21)12-24-11-9-18-13(20)7-10-19-15(22)5-6-16(19)23/h5-6H,2-4,7-12H2,1H3,(H,17,21)(H,18,20)
InChIKeySCLQHQIUACKEKP-UHFFFAOYSA-N
MW339.39 g/mol
LogP-0.26
Rot. Bonds12

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide (PubChem CID 18345573) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
PubChem CID18345573
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide
SMILESCCCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25N3O5/c1-2-3-4-8-17-14(21)12-24-11-9-18-13(20)7-10-19-15(22)5-6-16(19)23/h5-6H,2-4,7-12H2,1H3,(H,17,21)(H,18,20)
InChIKeySCLQHQIUACKEKP-UHFFFAOYSA-N
XLogP-0.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide (CID 18345573) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide is CCCCCNC(=O)COCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide?
The InChIKey is SCLQHQIUACKEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-2-3-4-8-17-14(21)12-24-11-9-18-13(20)7-10-19-15(22)5-6-16(19)23/h5-6H,2-4,7-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide has a molecular weight of 339.39 g/mol, XLogP of -0.26, 12 rotatable bonds, 2 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-[2-oxo-2-(pentylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 18345573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).