2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine

C26H36N2O2 — CID 175174023

IUPAC2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine
SMILESC1COCCN1.C=Cc1ccc(C(=O)C(CC)(Cc2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C22H27NO.C4H9NO/c1-6-18-12-14-20(15-13-18)21(24)22(7-2,23(4)5)16-19-10-8-17(3)9-11-19;1-3-6-4-2-5-1/h6,8-15H,1,7,16H2,2-5H3;5H,1-4H2
InChIKeyBMQFCRPCANWWPT-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.38
Rot. Bonds7

About 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine

2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine (PubChem CID 175174023) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine
PubChem CID175174023
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine
SMILESC1COCCN1.C=Cc1ccc(C(=O)C(CC)(Cc2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C22H27NO.C4H9NO/c1-6-18-12-14-20(15-13-18)21(24)22(7-2,23(4)5)16-19-10-8-17(3)9-11-19;1-3-6-4-2-5-1/h6,8-15H,1,7,16H2,2-5H3;5H,1-4H2
InChIKeyBMQFCRPCANWWPT-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine?
The IUPAC name of 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine (CID 175174023) is 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine.
What is the SMILES notation for 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine?
The canonical SMILES for 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine is C1COCCN1.C=Cc1ccc(C(=O)C(CC)(Cc2ccc(C)cc2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine?
The InChIKey is BMQFCRPCANWWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.C4H9NO/c1-6-18-12-14-20(15-13-18)21(24)22(7-2,23(4)5)16-19-10-8-17(3)9-11-19;1-3-6-4-2-5-1/h6,8-15H,1,7,16H2,2-5H3;5H,1-4H2.
What are the key properties of 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine?
2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine has a molecular weight of 408.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-ethenylphenyl)-2-[(4-methylphenyl)methyl]butan-1-one;morpholine is sourced from PubChem (CID 175174023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).