hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

C20H34N2O5 — CID 50899264

IUPAChexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C20H34N2O5/c1-2-3-4-7-14-27-20(25)17(21-12-15-26-16-13-21)8-5-6-11-22-18(23)9-10-19(22)24/h17H,2-16H2,1H3
InChIKeyFJIMUJSPZBDJFJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.13
Rot. Bonds12

About hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate

hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (PubChem CID 50899264) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.

Molecular Properties

Compound Namehexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
PubChem CID50899264
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Namehexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C20H34N2O5/c1-2-3-4-7-14-27-20(25)17(21-12-15-26-16-13-21)8-5-6-11-22-18(23)9-10-19(22)24/h17H,2-16H2,1H3
InChIKeyFJIMUJSPZBDJFJ-UHFFFAOYSA-N
XLogP2.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate with MolForge

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Related Compounds

Undecyl-6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 50899262
Hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 50899263
Octyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52942613
Decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52942907
Ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52944815
Ethyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52944863
Octyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52946088
Decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52946115
Nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52946228
Undecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52946316
Nonyl 6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopiperidin-1-yl)hexanoate
CID 52947359
Dodecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
CID 52947517

Frequently Asked Questions

What is the IUPAC name of hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The IUPAC name of hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (CID 50899264) is hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.
What is the SMILES notation for hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The canonical SMILES for hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is CCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1.
What is the InChIKey of hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The InChIKey is FJIMUJSPZBDJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-2-3-4-7-14-27-20(25)17(21-12-15-26-16-13-21)8-5-6-11-22-18(23)9-10-19(22)24/h17H,2-16H2,1H3.
What are the key properties of hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate has a molecular weight of 382.50 g/mol, XLogP of 2.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is sourced from PubChem (CID 50899264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).