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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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).