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

C24H37N7O6 — CID 88555792

IUPAC2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESC=C1CC(=O)N(C(C)C(=O)NC(C)NC(C)NC(C)NC(C)NC(=O)C(C)N2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C24H37N7O6/c1-11-9-19(32)30(23(11)36)13(3)21(34)28-17(7)26-15(5)25-16(6)27-18(8)29-22(35)14(4)31-20(33)10-12(2)24(31)37/h13-18,25-27H,1-2,9-10H2,3-8H3,(H,28,34)(H,29,35)
InChIKeyYUYIVDLHCBJUGF-UHFFFAOYSA-N
MW519.60 g/mol
LogP-1.22
Rot. Bonds12

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

2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (PubChem CID 88555792) has the molecular formula C24H37N7O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
PubChem CID88555792
Molecular FormulaC24H37N7O6
Molecular Weight519.60 g/mol
Exact Mass519.28
IUPAC Name2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESC=C1CC(=O)N(C(C)C(=O)NC(C)NC(C)NC(C)NC(C)NC(=O)C(C)N2C(=O)CC(=C)C2=O)C1=O
InChIInChI=1S/C24H37N7O6/c1-11-9-19(32)30(23(11)36)13(3)21(34)28-17(7)26-15(5)25-16(6)27-18(8)29-22(35)14(4)31-20(33)10-12(2)24(31)37/h13-18,25-27H,1-2,9-10H2,3-8H3,(H,28,34)(H,29,35)
InChIKeyYUYIVDLHCBJUGF-UHFFFAOYSA-N
XLogP-1.22
TPSA169.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The IUPAC name of 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (CID 88555792) is 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.
What is the SMILES notation for 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The canonical SMILES for 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is C=C1CC(=O)N(C(C)C(=O)NC(C)NC(C)NC(C)NC(C)NC(=O)C(C)N2C(=O)CC(=C)C2=O)C1=O.
What is the InChIKey of 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The InChIKey is YUYIVDLHCBJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O6/c1-11-9-19(32)30(23(11)36)13(3)21(34)28-17(7)26-15(5)25-16(6)27-18(8)29-22(35)14(4)31-20(33)10-12(2)24(31)37/h13-18,25-27H,1-2,9-10H2,3-8H3,(H,28,34)(H,29,35).
What are the key properties of 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide has a molecular weight of 519.60 g/mol, XLogP of -1.22, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-N-[1-[1-[1-[1-[2-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 88555792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).