3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine

C24H34N2O2 — CID 174613786

IUPAC3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine
SMILESC1COCCN1.CCC(Cc1ccccc1)(C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C20H25NO.C4H9NO/c1-4-20(21(2)3,16-18-13-9-6-10-14-18)19(22)15-17-11-7-5-8-12-17;1-3-6-4-2-5-1/h5-14H,4,15-16H2,1-3H3;5H,1-4H2
InChIKeyGTOICZCUQKTNSU-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.36
Rot. Bonds7

About 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine

3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine (PubChem CID 174613786) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine.

Molecular Properties

Compound Name3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine
PubChem CID174613786
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine
SMILESC1COCCN1.CCC(Cc1ccccc1)(C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C20H25NO.C4H9NO/c1-4-20(21(2)3,16-18-13-9-6-10-14-18)19(22)15-17-11-7-5-8-12-17;1-3-6-4-2-5-1/h5-14H,4,15-16H2,1-3H3;5H,1-4H2
InChIKeyGTOICZCUQKTNSU-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-3-methyl-1,4-diphenylbutan-1-one;morpholine
CID 174741727
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 161064034
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2-benzyl-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)phenyl]butan-1-one
CID 155346752
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139
2-benzyl-2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one;1,1-dichloroethane
CID 158663548
morpholine;2-phenylacetaldehyde
CID 174954462
2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
CID 174589642
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine?
The IUPAC name of 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine (CID 174613786) is 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine.
What is the SMILES notation for 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine?
The canonical SMILES for 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine is C1COCCN1.CCC(Cc1ccccc1)(C(=O)Cc1ccccc1)N(C)C.
What is the InChIKey of 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine?
The InChIKey is GTOICZCUQKTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.C4H9NO/c1-4-20(21(2)3,16-18-13-9-6-10-14-18)19(22)15-17-11-7-5-8-12-17;1-3-6-4-2-5-1/h5-14H,4,15-16H2,1-3H3;5H,1-4H2.
What are the key properties of 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine?
3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine has a molecular weight of 382.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine is sourced from PubChem (CID 174613786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).