1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one

C21H23NO2 — CID 2939984

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
SMILESCC1CN(C(=O)C(=Cc2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H23NO2/c1-16-14-22(15-17(2)24-16)21(23)20(19-11-7-4-8-12-19)13-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3
InChIKeyVZIYGZNKPNNMAY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one

1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 2939984) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID2939984
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
SMILESCC1CN(C(=O)C(=Cc2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H23NO2/c1-16-14-22(15-17(2)24-16)21(23)20(19-11-7-4-8-12-19)13-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3
InChIKeyVZIYGZNKPNNMAY-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 99643485
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 2938637
(Z)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 7429607
N-[(Z)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 6560976
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
N-[3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2790304
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 2186177
methyl 1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylate
CID 108754898
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one (CID 2939984) is 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one is CC1CN(C(=O)C(=Cc2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is VZIYGZNKPNNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-16-14-22(15-17(2)24-16)21(23)20(19-11-7-4-8-12-19)13-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 2939984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).