N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide

C15H19N3O5 — CID 175006672

IUPACN-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(=O)N(CCCCN1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H19N3O5/c1-2-11(19)17(18-14(22)7-8-15(18)23)10-4-3-9-16-12(20)5-6-13(16)21/h7-8H,2-6,9-10H2,1H3
InChIKeyUFHBZNVEBTYZNL-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.01
Rot. Bonds7

About N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide

N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 175006672) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID175006672
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(=O)N(CCCCN1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C15H19N3O5/c1-2-11(19)17(18-14(22)7-8-15(18)23)10-4-3-9-16-12(20)5-6-13(16)21/h7-8H,2-6,9-10H2,1H3
InChIKeyUFHBZNVEBTYZNL-UHFFFAOYSA-N
XLogP-0.01
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide (CID 175006672) is N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide is CCC(=O)N(CCCCN1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is UFHBZNVEBTYZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-2-11(19)17(18-14(22)7-8-15(18)23)10-4-3-9-16-12(20)5-6-13(16)21/h7-8H,2-6,9-10H2,1H3.
What are the key properties of N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide?
N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 321.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-N-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 175006672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).