3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide

C17H30N2O3 — CID 58313434

IUPAC3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCC1CC(=O)N(CCC(=O)NCC(C)C)C1=O
InChIInChI=1S/C17H30N2O3/c1-12(2)6-5-7-14-10-16(21)19(17(14)22)9-8-15(20)18-11-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyJCSYNEHWLJECSJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.35
Rot. Bonds9

About 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide

3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 58313434) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID58313434
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCC1CC(=O)N(CCC(=O)NCC(C)C)C1=O
InChIInChI=1S/C17H30N2O3/c1-12(2)6-5-7-14-10-16(21)19(17(14)22)9-8-15(20)18-11-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyJCSYNEHWLJECSJ-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide (CID 58313434) is 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CCCC1CC(=O)N(CCC(=O)NCC(C)C)C1=O.
What is the InChIKey of 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is JCSYNEHWLJECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12(2)6-5-7-14-10-16(21)19(17(14)22)9-8-15(20)18-11-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide?
3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 58313434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).