2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide

C19H22N4O7 — CID 59599630

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide
SMILESCC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C19H22N4O7/c1-12(24)13(21-15(26)11-23-18(29)7-8-19(23)30)4-2-3-9-20-14(25)10-22-16(27)5-6-17(22)28/h5-8,13H,2-4,9-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyFUIGJYMDLGNXRK-UHFFFAOYSA-N
MW418.41 g/mol
LogP-1.80
Rot. Bonds11

About 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide

2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide (PubChem CID 59599630) has the molecular formula C19H22N4O7 and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide
PubChem CID59599630
Molecular FormulaC19H22N4O7
Molecular Weight418.41 g/mol
Exact Mass418.15
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide
SMILESCC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C19H22N4O7/c1-12(24)13(21-15(26)11-23-18(29)7-8-19(23)30)4-2-3-9-20-14(25)10-22-16(27)5-6-17(22)28/h5-8,13H,2-4,9-11H2,1H3,(H,20,25)(H,21,26)
InChIKeyFUIGJYMDLGNXRK-UHFFFAOYSA-N
XLogP-1.80
TPSA150.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 5-1.80
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-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide (CID 59599630) is 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide is CC(=O)C(CCCCNC(=O)CN1C(=O)C=CC1=O)NC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide?
The InChIKey is FUIGJYMDLGNXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7/c1-12(24)13(21-15(26)11-23-18(29)7-8-19(23)30)4-2-3-9-20-14(25)10-22-16(27)5-6-17(22)28/h5-8,13H,2-4,9-11H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide?
2-(2,5-dioxopyrrol-1-yl)-N-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide has a molecular weight of 418.41 g/mol, XLogP of -1.80, 11 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-[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-6-oxoheptyl]acetamide is sourced from PubChem (CID 59599630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).