N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

C17H22N2O3 — CID 2219850

IUPACN-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-15(18-13-14-7-3-1-4-8-14)9-5-2-6-12-19-16(21)10-11-17(19)22/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20)
InChIKeyFWGHCKUBNHMJKN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.01
Rot. Bonds8

About N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide

N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (PubChem CID 2219850) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
PubChem CID2219850
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)CCC1=O)NCc1ccccc1
InChIInChI=1S/C17H22N2O3/c20-15(18-13-14-7-3-1-4-8-14)9-5-2-6-12-19-16(21)10-11-17(19)22/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20)
InChIKeyFWGHCKUBNHMJKN-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide (CID 2219850) is N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is O=C(CCCCCN1C(=O)CCC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
The InChIKey is FWGHCKUBNHMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15(18-13-14-7-3-1-4-8-14)9-5-2-6-12-19-16(21)10-11-17(19)22/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,20).
What are the key properties of N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide?
N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide has a molecular weight of 302.37 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,5-dioxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 2219850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).