2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione

C28H36N2O4 — CID 657625

IUPAC2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione
SMILESO=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H36N2O4/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24/h1-10,25-26H,11-22H2
InChIKeyCVOBZFLICCGWKJ-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.43
Rot. Bonds11

About 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione (PubChem CID 657625) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione.

Molecular Properties

Compound Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione
PubChem CID657625
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Name2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione
SMILESO=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1
InChIInChI=1S/C28H36N2O4/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24/h1-10,25-26H,11-22H2
InChIKeyCVOBZFLICCGWKJ-UHFFFAOYSA-N
XLogP3.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione?
The IUPAC name of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione (CID 657625) is 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione.
What is the SMILES notation for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione?
The canonical SMILES for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione is O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1.
What is the InChIKey of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione?
The InChIKey is CVOBZFLICCGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24/h1-10,25-26H,11-22H2.
What are the key properties of 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione?
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione has a molecular weight of 464.61 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione is sourced from PubChem (CID 657625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).