6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide

C17H30N2O3 — CID 171520139

IUPAC6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
SMILESCC(C)CCCNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O3/c1-13(2)8-7-10-18-15(20)9-5-4-6-11-19-16(21)12-14(3)17(19)22/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyDBLXFPMDZOAEEQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.49
Rot. Bonds10

About 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide (PubChem CID 171520139) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
PubChem CID171520139
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
SMILESCC(C)CCCNC(=O)CCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C17H30N2O3/c1-13(2)8-7-10-18-15(20)9-5-4-6-11-19-16(21)12-14(3)17(19)22/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeyDBLXFPMDZOAEEQ-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.49
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 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide (CID 171520139) is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide is CC(C)CCCNC(=O)CCCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide?
The InChIKey is DBLXFPMDZOAEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(2)8-7-10-18-15(20)9-5-4-6-11-19-16(21)12-14(3)17(19)22/h13-14H,4-12H2,1-3H3,(H,18,20).
What are the key properties of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide?
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide has a molecular weight of 310.44 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide is sourced from PubChem (CID 171520139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).