2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide

C16H18N4O7 — CID 59157606

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide
SMILESO=C(CN1C(=O)C=CC1=O)NCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H18N4O7/c21-11(9-19-13(23)1-2-14(19)24)17-5-7-27-8-6-18-12(22)10-20-15(25)3-4-16(20)26/h1-4H,5-10H2,(H,17,21)(H,18,22)
InChIKeyBBPPFXPFVGJGKB-UHFFFAOYSA-N
MW378.34 g/mol
LogP-2.91
Rot. Bonds10

About 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide

2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide (PubChem CID 59157606) has the molecular formula C16H18N4O7 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide
PubChem CID59157606
Molecular FormulaC16H18N4O7
Molecular Weight378.34 g/mol
Exact Mass378.12
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide
SMILESO=C(CN1C(=O)C=CC1=O)NCCOCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H18N4O7/c21-11(9-19-13(23)1-2-14(19)24)17-5-7-27-8-6-18-12(22)10-20-15(25)3-4-16(20)26/h1-4H,5-10H2,(H,17,21)(H,18,22)
InChIKeyBBPPFXPFVGJGKB-UHFFFAOYSA-N
XLogP-2.91
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 5-2.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide (CID 59157606) is 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide is O=C(CN1C(=O)C=CC1=O)NCCOCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide?
The InChIKey is BBPPFXPFVGJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O7/c21-11(9-19-13(23)1-2-14(19)24)17-5-7-27-8-6-18-12(22)10-20-15(25)3-4-16(20)26/h1-4H,5-10H2,(H,17,21)(H,18,22).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide has a molecular weight of 378.34 g/mol, XLogP of -2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 59157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).