3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine

C23H32N2O2 — CID 174741727

IUPAC3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine
SMILESC1COCCN1.CN(C)C(C)(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO.C4H9NO/c1-19(20(2)3,14-16-10-6-4-7-11-16)15-18(21)17-12-8-5-9-13-17;1-3-6-4-2-5-1/h4-13H,14-15H2,1-3H3;5H,1-4H2
InChIKeyJRMRAWDFAQGPGU-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.43
Rot. Bonds6

About 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine

3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine (PubChem CID 174741727) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine
PubChem CID174741727
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine
SMILESC1COCCN1.CN(C)C(C)(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO.C4H9NO/c1-19(20(2)3,14-16-10-6-4-7-11-16)15-18(21)17-12-8-5-9-13-17;1-3-6-4-2-5-1/h4-13H,14-15H2,1-3H3;5H,1-4H2
InChIKeyJRMRAWDFAQGPGU-UHFFFAOYSA-N
XLogP3.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
CID 134103594
N-[(2S)-1-[[(2S)-1-[[(3S)-4-methyl-1-[(2-morpholin-4-yl-2-oxoethyl)amino]-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 68305425
1-Propanone, 2-methyl-3-(4-morpholinyl)-1-phenyl-
CID 211134
1-Propanone, 1-[1,1'-biphenyl]-4-yl-2-methyl-2-(4-morpholinyl)-
CID 20574161
1-(4-Hexylphenyl)-3-(morpholin-4-yl)propan-1-one
CID 23635362
2-(Morpholin-4-yl)-1,3-diphenylpropan-1-one
CID 234548
2-Methyl-3-morpholino-1-phenylpropan-1-one hydrochloride
CID 2848212
CID 6603036
CID 6603036
[3-(1-Morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanone;hydrochloride
CID 12805103
2-(6-Phenacylpiperidin-2-yl)-1-phenylethanone
CID 417889
Norlobelanine
CID 12311086
Morpholine, 4-(1,2-di(p-toluoyl)vinyl)-
CID 5357284

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine?
The IUPAC name of 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine (CID 174741727) is 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine is C1COCCN1.CN(C)C(C)(CC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine?
The InChIKey is JRMRAWDFAQGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C4H9NO/c1-19(20(2)3,14-16-10-6-4-7-11-16)15-18(21)17-12-8-5-9-13-17;1-3-6-4-2-5-1/h4-13H,14-15H2,1-3H3;5H,1-4H2.
What are the key properties of 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine?
3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine has a molecular weight of 368.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine is sourced from PubChem (CID 174741727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).