4-morpholin-4-yl-3,3-diphenylbutan-2-one

C20H23NO2 — CID 23423770

IUPAC4-morpholin-4-yl-3,3-diphenylbutan-2-one
SMILESCC(=O)C(CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-17(22)20(18-8-4-2-5-9-18,19-10-6-3-7-11-19)16-21-12-14-23-15-13-21/h2-11H,12-16H2,1H3
InChIKeyZLZQEHHEAAAVMS-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.89
Rot. Bonds5

About 4-morpholin-4-yl-3,3-diphenylbutan-2-one

4-morpholin-4-yl-3,3-diphenylbutan-2-one (PubChem CID 23423770) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-3,3-diphenylbutan-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-3,3-diphenylbutan-2-one
PubChem CID23423770
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-morpholin-4-yl-3,3-diphenylbutan-2-one
SMILESCC(=O)C(CN1CCOCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-17(22)20(18-8-4-2-5-9-18,19-10-6-3-7-11-19)16-21-12-14-23-15-13-21/h2-11H,12-16H2,1H3
InChIKeyZLZQEHHEAAAVMS-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
1-morpholin-4-yl-2-phenylpropan-2-amine
CID 62489522
1-amino-2-morpholin-4-yl-1-phenylethanol
CID 67546296
6-morpholin-4-yl-4,4-diphenylheptan-3-one
CID 10089
S-trityl 2-morpholin-4-ylethanethioate
CID 15780363
4-(dimethylamino)-1-[2-(morpholin-4-ylmethyl)phenyl]-2,2-diphenylpentan-1-one
CID 155041263
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
3-methyl-4-morpholin-4-yl-2,2-diphenylbutanoic acid;sulfuric acid
CID 138397409
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3,3-diphenylbutan-2-one?
The IUPAC name of 4-morpholin-4-yl-3,3-diphenylbutan-2-one (CID 23423770) is 4-morpholin-4-yl-3,3-diphenylbutan-2-one.
What is the SMILES notation for 4-morpholin-4-yl-3,3-diphenylbutan-2-one?
The canonical SMILES for 4-morpholin-4-yl-3,3-diphenylbutan-2-one is CC(=O)C(CN1CCOCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-3,3-diphenylbutan-2-one?
The InChIKey is ZLZQEHHEAAAVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-17(22)20(18-8-4-2-5-9-18,19-10-6-3-7-11-19)16-21-12-14-23-15-13-21/h2-11H,12-16H2,1H3.
What are the key properties of 4-morpholin-4-yl-3,3-diphenylbutan-2-one?
4-morpholin-4-yl-3,3-diphenylbutan-2-one has a molecular weight of 309.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3,3-diphenylbutan-2-one is sourced from PubChem (CID 23423770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).