2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one

C31H46N2O2 — CID 139844588

IUPAC2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCCCCC(Cc1ccc(CC(C)C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)C(CC)NC
InChIInChI=1S/C31H46N2O2/c1-6-8-17-31(29(7-2)32-5,23-26-11-9-25(10-12-26)22-24(3)4)30(34)27-13-15-28(16-14-27)33-18-20-35-21-19-33/h9-16,24,29,32H,6-8,17-23H2,1-5H3
InChIKeyZKXYULKRAAODPK-UHFFFAOYSA-N
MW478.72 g/mol
LogP6.32
Rot. Bonds13

About 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one

2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one (PubChem CID 139844588) has the molecular formula C31H46N2O2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one.

Molecular Properties

Compound Name2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
PubChem CID139844588
Molecular FormulaC31H46N2O2
Molecular Weight478.72 g/mol
Exact Mass478.36
IUPAC Name2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
SMILESCCCCC(Cc1ccc(CC(C)C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)C(CC)NC
InChIInChI=1S/C31H46N2O2/c1-6-8-17-31(29(7-2)32-5,23-26-11-9-25(10-12-26)22-24(3)4)30(34)27-13-15-28(16-14-27)33-18-20-35-21-19-33/h9-16,24,29,32H,6-8,17-23H2,1-5H3
InChIKeyZKXYULKRAAODPK-UHFFFAOYSA-N
XLogP6.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one 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

2-[butyl(methyl)amino]-2-[(4-butylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 154135338
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 174935005
2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
CID 174831575
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 17438048
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 156564758
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The IUPAC name of 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one (CID 139844588) is 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one.
What is the SMILES notation for 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The canonical SMILES for 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one is CCCCC(Cc1ccc(CC(C)C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)C(CC)NC.
What is the InChIKey of 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
The InChIKey is ZKXYULKRAAODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O2/c1-6-8-17-31(29(7-2)32-5,23-26-11-9-25(10-12-26)22-24(3)4)30(34)27-13-15-28(16-14-27)33-18-20-35-21-19-33/h9-16,24,29,32H,6-8,17-23H2,1-5H3.
What are the key properties of 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one?
2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one has a molecular weight of 478.72 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one is sourced from PubChem (CID 139844588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).