6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide

C16H25N3O5 — CID 167275837

IUPAC6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
SMILESCC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H25N3O5/c1-11-8-15(23)19(16(11)24)7-5-3-4-6-13(21)18-10-14(22)17-9-12(2)20/h11H,3-10H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyNMXJETCZUPQRHV-UHFFFAOYSA-N
MW339.39 g/mol
LogP-0.24
Rot. Bonds10

About 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide (PubChem CID 167275837) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
PubChem CID167275837
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide
SMILESCC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C16H25N3O5/c1-11-8-15(23)19(16(11)24)7-5-3-4-6-13(21)18-10-14(22)17-9-12(2)20/h11H,3-10H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyNMXJETCZUPQRHV-UHFFFAOYSA-N
XLogP-0.24
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
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 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide (CID 167275837) is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide is CC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide?
The InChIKey is NMXJETCZUPQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-11-8-15(23)19(16(11)24)7-5-3-4-6-13(21)18-10-14(22)17-9-12(2)20/h11H,3-10H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide?
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide has a molecular weight of 339.39 g/mol, XLogP of -0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(2-oxopropylamino)ethyl]hexanamide is sourced from PubChem (CID 167275837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).