2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide

C17H25N3O5 — CID 20778308

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
SMILESCCC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NCC(C)=O
InChIInChI=1S/C17H25N3O5/c1-3-14(22)13(19-10-12(2)21)6-4-5-9-18-15(23)11-20-16(24)7-8-17(20)25/h7-8,13,19H,3-6,9-11H2,1-2H3,(H,18,23)
InChIKeyOYIGUTMNQZCYKA-UHFFFAOYSA-N
MW351.40 g/mol
LogP-0.28
Rot. Bonds12

About 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide

2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide (PubChem CID 20778308) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
PubChem CID20778308
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
SMILESCCC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NCC(C)=O
InChIInChI=1S/C17H25N3O5/c1-3-14(22)13(19-10-12(2)21)6-4-5-9-18-15(23)11-20-16(24)7-8-17(20)25/h7-8,13,19H,3-6,9-11H2,1-2H3,(H,18,23)
InChIKeyOYIGUTMNQZCYKA-UHFFFAOYSA-N
XLogP-0.28
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.28
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 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide (CID 20778308) is 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide is CCC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NCC(C)=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide?
The InChIKey is OYIGUTMNQZCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-3-14(22)13(19-10-12(2)21)6-4-5-9-18-15(23)11-20-16(24)7-8-17(20)25/h7-8,13,19H,3-6,9-11H2,1-2H3,(H,18,23).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide has a molecular weight of 351.40 g/mol, XLogP of -0.28, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide is sourced from PubChem (CID 20778308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).