3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

C22H33N7O6 — CID 59281655

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCNCCNCCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H33N7O6/c30-17(5-15-28-19(32)1-2-20(28)33)26-13-11-24-9-7-23-8-10-25-12-14-27-18(31)6-16-29-21(34)3-4-22(29)35/h1-4,23-25H,5-16H2,(H,26,30)(H,27,31)
InChIKeyDXOXXMIEIJZGFG-UHFFFAOYSA-N
MW491.55 g/mol
LogP-3.38
Rot. Bonds18

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (PubChem CID 59281655) has the molecular formula C22H33N7O6 and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
PubChem CID59281655
Molecular FormulaC22H33N7O6
Molecular Weight491.55 g/mol
Exact Mass491.25
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCNCCNCCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H33N7O6/c30-17(5-15-28-19(32)1-2-20(28)33)26-13-11-24-9-7-23-8-10-25-12-14-27-18(31)6-16-29-21(34)3-4-22(29)35/h1-4,23-25H,5-16H2,(H,26,30)(H,27,31)
InChIKeyDXOXXMIEIJZGFG-UHFFFAOYSA-N
XLogP-3.38
TPSA169.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (CID 59281655) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCNCCNCCNCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The InChIKey is DXOXXMIEIJZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O6/c30-17(5-15-28-19(32)1-2-20(28)33)26-13-11-24-9-7-23-8-10-25-12-14-27-18(31)6-16-29-21(34)3-4-22(29)35/h1-4,23-25H,5-16H2,(H,26,30)(H,27,31).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide has a molecular weight of 491.55 g/mol, XLogP of -3.38, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 59281655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).