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

C24H37N7O6 — CID 59281657

IUPAC3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESC=C1CC(=O)N(CCC(=O)NCCNCCNCCNCCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C24H37N7O6/c1-17-15-21(34)30(23(17)36)13-3-19(32)28-11-9-26-7-5-25-6-8-27-10-12-29-20(33)4-14-31-22(35)16-18(2)24(31)37/h25-27H,1-16H2,(H,28,32)(H,29,33)
InChIKeySEVRUPGRDHGXSG-UHFFFAOYSA-N
MW519.60 g/mol
LogP-2.60
Rot. Bonds18

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

3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (PubChem CID 59281657) has the molecular formula C24H37N7O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
PubChem CID59281657
Molecular FormulaC24H37N7O6
Molecular Weight519.60 g/mol
Exact Mass519.28
IUPAC Name3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESC=C1CC(=O)N(CCC(=O)NCCNCCNCCNCCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C24H37N7O6/c1-17-15-21(34)30(23(17)36)13-3-19(32)28-11-9-26-7-5-25-6-8-27-10-12-29-20(33)4-14-31-22(35)16-18(2)24(31)37/h25-27H,1-16H2,(H,28,32)(H,29,33)
InChIKeySEVRUPGRDHGXSG-UHFFFAOYSA-N
XLogP-2.60
TPSA169.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The IUPAC name of 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (CID 59281657) is 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.
What is the SMILES notation for 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The canonical SMILES for 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is C=C1CC(=O)N(CCC(=O)NCCNCCNCCNCCNC(=O)CCN2C(=O)CC(=C)C2=O)C1=O.
What is the InChIKey of 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The InChIKey is SEVRUPGRDHGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O6/c1-17-15-21(34)30(23(17)36)13-3-19(32)28-11-9-26-7-5-25-6-8-27-10-12-29-20(33)4-14-31-22(35)16-18(2)24(31)37/h25-27H,1-16H2,(H,28,32)(H,29,33).
What are the key properties of 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide has a molecular weight of 519.60 g/mol, XLogP of -2.60, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 59281657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).