6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide

C20H36N2O3 — CID 174300666

IUPAC6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide
SMILESCCCC(C)C(CC)(CC)C1CC(=O)N(CCCCCC(N)=O)C1=O
InChIInChI=1S/C20H36N2O3/c1-5-11-15(4)20(6-2,7-3)16-14-18(24)22(19(16)25)13-10-8-9-12-17(21)23/h15-16H,5-14H2,1-4H3,(H2,21,23)
InChIKeyKHVRZVWMJIMQMH-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.65
Rot. Bonds12

About 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide

6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide (PubChem CID 174300666) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide.

Molecular Properties

Compound Name6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide
PubChem CID174300666
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide
SMILESCCCC(C)C(CC)(CC)C1CC(=O)N(CCCCCC(N)=O)C1=O
InChIInChI=1S/C20H36N2O3/c1-5-11-15(4)20(6-2,7-3)16-14-18(24)22(19(16)25)13-10-8-9-12-17(21)23/h15-16H,5-14H2,1-4H3,(H2,21,23)
InChIKeyKHVRZVWMJIMQMH-UHFFFAOYSA-N
XLogP3.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.65
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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Related Compounds

3-tert-butyl-1-[6-[(3R)-3-tert-butylpyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2,5-dione
CID 134402052
3-tert-butyl-1-[7-[(3R)-3-tert-butylpyrrolidin-1-yl]-7-oxoheptyl]pyrrolidine-2,5-dione
CID 134402061
6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
CID 121328368
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462605
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
3-tert-butyl-1-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]pyrrolidine-2,5-dione
CID 134403475
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
3-ethyl-1-(7-methyl-6-oxononyl)pyrrolidine-2,5-dione
CID 145169195

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide?
The IUPAC name of 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide (CID 174300666) is 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide.
What is the SMILES notation for 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide?
The canonical SMILES for 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide is CCCC(C)C(CC)(CC)C1CC(=O)N(CCCCCC(N)=O)C1=O.
What is the InChIKey of 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide?
The InChIKey is KHVRZVWMJIMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-5-11-15(4)20(6-2,7-3)16-14-18(24)22(19(16)25)13-10-8-9-12-17(21)23/h15-16H,5-14H2,1-4H3,(H2,21,23).
What are the key properties of 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide?
6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide has a molecular weight of 352.52 g/mol, XLogP of 3.65, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-ethyl-4-methylheptan-3-yl)-2,5-dioxopyrrolidin-1-yl]hexanamide is sourced from PubChem (CID 174300666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).