7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione

C20H38N2O4 — CID 541282

IUPAC7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione
SMILESCCCCCCN1CCN(CCCCCC)C(=O)COCCOCC1=O
InChIInChI=1S/C20H38N2O4/c1-3-5-7-9-11-21-13-14-22(12-10-8-6-4-2)20(24)18-26-16-15-25-17-19(21)23/h3-18H2,1-2H3
InChIKeyOJXKDBZPQGBNRV-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.85
Rot. Bonds10

About 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione

7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione (PubChem CID 541282) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione.

Molecular Properties

Compound Name7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione
PubChem CID541282
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione
SMILESCCCCCCN1CCN(CCCCCC)C(=O)COCCOCC1=O
InChIInChI=1S/C20H38N2O4/c1-3-5-7-9-11-21-13-14-22(12-10-8-6-4-2)20(24)18-26-16-15-25-17-19(21)23/h3-18H2,1-2H3
InChIKeyOJXKDBZPQGBNRV-UHFFFAOYSA-N
XLogP2.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione?
The IUPAC name of 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione (CID 541282) is 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione.
What is the SMILES notation for 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione?
The canonical SMILES for 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione is CCCCCCN1CCN(CCCCCC)C(=O)COCCOCC1=O.
What is the InChIKey of 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione?
The InChIKey is OJXKDBZPQGBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-3-5-7-9-11-21-13-14-22(12-10-8-6-4-2)20(24)18-26-16-15-25-17-19(21)23/h3-18H2,1-2H3.
What are the key properties of 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione?
7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione has a molecular weight of 370.53 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dihexyl-1,4-dioxa-7,10-diazacyclododecane-6,11-dione is sourced from PubChem (CID 541282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).