4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide

C17H27N3O6 — CID 134381326

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O6/c1-2-14(21)18-7-10-25-12-13-26-11-8-19-15(22)4-3-9-20-16(23)5-6-17(20)24/h5-6H,2-4,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyNRYQTJAXYGXROW-UHFFFAOYSA-N
MW369.42 g/mol
LogP-0.63
Rot. Bonds14

About 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide

4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide (PubChem CID 134381326) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide
PubChem CID134381326
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide
SMILESCCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27N3O6/c1-2-14(21)18-7-10-25-12-13-26-11-8-19-15(22)4-3-9-20-16(23)5-6-17(20)24/h5-6H,2-4,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyNRYQTJAXYGXROW-UHFFFAOYSA-N
XLogP-0.63
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-0.63
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 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide (CID 134381326) is 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide is CCC(=O)NCCOCCOCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is NRYQTJAXYGXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6/c1-2-14(21)18-7-10-25-12-13-26-11-8-19-15(22)4-3-9-20-16(23)5-6-17(20)24/h5-6H,2-4,7-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of -0.63, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 134381326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).