(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one

C24H32N2O2 — CID 146309814

IUPAC(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
SMILESCc1ccc(C[C@H](CCC(=O)c2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-19-4-6-20(7-5-19)18-23(25(2)3)12-13-24(27)21-8-10-22(11-9-21)26-14-16-28-17-15-26/h4-11,23H,12-18H2,1-3H3/t23-/m0/s1
InChIKeyLTMXFPYAQZOQTA-QHCPKHFHSA-N
MW380.53 g/mol
LogP3.97
Rot. Bonds8

About (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one

(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one (PubChem CID 146309814) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
PubChem CID146309814
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
SMILESCc1ccc(C[C@H](CCC(=O)c2ccc(N3CCOCC3)cc2)N(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-19-4-6-20(7-5-19)18-23(25(2)3)12-13-24(27)21-8-10-22(11-9-21)26-14-16-28-17-15-26/h4-11,23H,12-18H2,1-3H3/t23-/m0/s1
InChIKeyLTMXFPYAQZOQTA-QHCPKHFHSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)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

5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-2-amine
CID 69032943
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 156564758
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110622168
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
4-(4-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)butan-1-one
CID 174252989
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The IUPAC name of (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one (CID 146309814) is (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one.
What is the SMILES notation for (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The canonical SMILES for (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one is Cc1ccc(C[C@H](CCC(=O)c2ccc(N3CCOCC3)cc2)N(C)C)cc1.
What is the InChIKey of (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
The InChIKey is LTMXFPYAQZOQTA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-4-6-20(7-5-19)18-23(25(2)3)12-13-24(27)21-8-10-22(11-9-21)26-14-16-28-17-15-26/h4-11,23H,12-18H2,1-3H3/t23-/m0/s1.
What are the key properties of (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one?
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one has a molecular weight of 380.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one is sourced from PubChem (CID 146309814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).