3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one

C26H32N2O4 — CID 42602271

IUPAC3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc(-c2ccc(C(=O)CCN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H32N2O4/c29-25(9-11-27-13-17-31-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)26(30)10-12-28-15-19-32-20-16-28/h1-8H,9-20H2
InChIKeyUKUXOYHUMOANRU-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.16
Rot. Bonds9

About 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one

3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one (PubChem CID 42602271) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one
PubChem CID42602271
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc(-c2ccc(C(=O)CCN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H32N2O4/c29-25(9-11-27-13-17-31-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)26(30)10-12-28-15-19-32-20-16-28/h1-8H,9-20H2
InChIKeyUKUXOYHUMOANRU-UHFFFAOYSA-N
XLogP3.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one (CID 42602271) is 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one is O=C(CCN1CCOCC1)c1ccc(-c2ccc(C(=O)CCN3CCOCC3)cc2)cc1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one?
The InChIKey is UKUXOYHUMOANRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c29-25(9-11-27-13-17-31-18-14-27)23-5-1-21(2-6-23)22-3-7-24(8-4-22)26(30)10-12-28-15-19-32-20-16-28/h1-8H,9-20H2.
What are the key properties of 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one?
3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one has a molecular weight of 436.55 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-[4-(3-morpholin-4-ylpropanoyl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 42602271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).