N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

C17H23Cl2N3O3 — CID 108960486

IUPACN-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H23Cl2N3O3/c1-17(2,15(23)20-6-7-22-8-10-25-11-9-22)16(24)21-13-5-3-4-12(18)14(13)19/h3-5H,6-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRXYSEDJMCUQJJ-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.41
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide

N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108960486) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108960486
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC NameN-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H23Cl2N3O3/c1-17(2,15(23)20-6-7-22-8-10-25-11-9-22)16(24)21-13-5-3-4-12(18)14(13)19/h3-5H,6-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRXYSEDJMCUQJJ-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide 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-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
N-(2,3-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207708
N-(2,3-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958900
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 110864352

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide (CID 108960486) is N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is PRXYSEDJMCUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-17(2,15(23)20-6-7-22-8-10-25-11-9-22)16(24)21-13-5-3-4-12(18)14(13)19/h3-5H,6-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide?
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 388.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108960486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).