2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one

C27H38N2O2 — CID 175082055

IUPAC2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
SMILESCCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3
InChIKeyNJKJCAMWUGJAIT-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.17
Rot. Bonds9

About 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one

2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one (PubChem CID 175082055) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
PubChem CID175082055
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
SMILESCCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3
InChIKeyNJKJCAMWUGJAIT-UHFFFAOYSA-N
XLogP5.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-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-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
CID 175147808
2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
CID 174589642
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
(4-propan-2-ylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815028
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
2-[butyl(methyl)amino]-2-[(4-butylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 154135338
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
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
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
CID 175252354
2-morpholin-4-ylbenzohydrazide
CID 7148386

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one (CID 175082055) is 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one is CCCC(Cc1ccc(C(C)C)cc1)(C(=O)c1ccccc1N1CCOCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
The InChIKey is NJKJCAMWUGJAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-6-15-27(28(4)5,20-22-11-13-23(14-12-22)21(2)3)26(30)24-9-7-8-10-25(24)29-16-18-31-19-17-29/h7-14,21H,6,15-20H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one?
2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one has a molecular weight of 422.61 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one is sourced from PubChem (CID 175082055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).