N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide

C21H26N2O2 — CID 110649726

IUPACN-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-3-7-19(15-17(16)2)22-21(24)10-6-18-4-8-20(9-5-18)23-11-13-25-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24)
InChIKeyNOVMCGYDMHKFIN-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.71
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide

N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 110649726) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
PubChem CID110649726
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-16-3-7-19(15-17(16)2)22-21(24)10-6-18-4-8-20(9-5-18)23-11-13-25-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24)
InChIKeyNOVMCGYDMHKFIN-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide 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

N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
N-[3-methyl-4-[3-(4-morpholin-4-ylphenyl)propylsulfamoyl]phenyl]propanamide
CID 16891034
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide (CID 110649726) is N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(N3CCOCC3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is NOVMCGYDMHKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-3-7-19(15-17(16)2)22-21(24)10-6-18-4-8-20(9-5-18)23-11-13-25-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide?
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 110649726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).