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

C24H42N2O5 — CID 52942907

IUPACdecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-11-18-31-24(29)21(25-16-19-30-20-17-25)12-9-10-15-26-22(27)13-14-23(26)28/h21H,2-20H2,1H3
InChIKeyCNUDMERXWQKAKP-UHFFFAOYSA-N
MW438.61 g/mol
LogP3.69
Rot. Bonds16

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

decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (PubChem CID 52942907) has the molecular formula C24H42N2O5 and a molecular weight of 438.61 g/mol. Its IUPAC name is decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.

Molecular Properties

Compound Namedecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
PubChem CID52942907
Molecular FormulaC24H42N2O5
Molecular Weight438.61 g/mol
Exact Mass438.31
IUPAC Namedecyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate
SMILESCCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1
InChIInChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-11-18-31-24(29)21(25-16-19-30-20-17-25)12-9-10-15-26-22(27)13-14-23(26)28/h21H,2-20H2,1H3
InChIKeyCNUDMERXWQKAKP-UHFFFAOYSA-N
XLogP3.69
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.61
LogP ≤ 53.69
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'}

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Frequently Asked Questions

What is the IUPAC name of decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The IUPAC name of decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate (CID 52942907) is decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate.
What is the SMILES notation for decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The canonical SMILES for decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is CCCCCCCCCCOC(=O)C(CCCCN1C(=O)CCC1=O)N1CCOCC1.
What is the InChIKey of decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
The InChIKey is CNUDMERXWQKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O5/c1-2-3-4-5-6-7-8-11-18-31-24(29)21(25-16-19-30-20-17-25)12-9-10-15-26-22(27)13-14-23(26)28/h21H,2-20H2,1H3.
What are the key properties of decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate?
decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate has a molecular weight of 438.61 g/mol, XLogP of 3.69, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 6-(2,5-dioxopyrrolidin-1-yl)-2-morpholin-4-ylhexanoate is sourced from PubChem (CID 52942907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).