2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

C18H24F3N3O3 — CID 108960459

IUPAC2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c1-17(2,15(25)22-7-8-24-9-11-27-12-10-24)16(26)23-14-6-4-3-5-13(14)18(19,20)21/h3-6H,7-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOUZMDDAZFFXFFI-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.12
Rot. Bonds6

About 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108960459) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108960459
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H24F3N3O3/c1-17(2,15(25)22-7-8-24-9-11-27-12-10-24)16(26)23-14-6-4-3-5-13(14)18(19,20)21/h3-6H,7-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOUZMDDAZFFXFFI-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113160713
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
N-(2-morpholin-4-ylethyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109229551
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
1-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 125179623

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108960459) is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is CC(C)(C(=O)NCCN1CCOCC1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is OUZMDDAZFFXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-17(2,15(25)22-7-8-24-9-11-27-12-10-24)16(26)23-14-6-4-3-5-13(14)18(19,20)21/h3-6H,7-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 387.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).