1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one

C23H27F3N2O — CID 145301929

IUPAC1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one
SMILESCCC(=O)CNC(CNC1(C(F)(F)F)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27F3N2O/c1-2-19(29)15-27-20(16-28-22(13-14-22)23(24,25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,20-21,27-28H,2,13-16H2,1H3
InChIKeyQYVSXNCSYIAWBP-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.44
Rot. Bonds10

About 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one

1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one (PubChem CID 145301929) has the molecular formula C23H27F3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one.

Molecular Properties

Compound Name1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one
PubChem CID145301929
Molecular FormulaC23H27F3N2O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one
SMILESCCC(=O)CNC(CNC1(C(F)(F)F)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27F3N2O/c1-2-19(29)15-27-20(16-28-22(13-14-22)23(24,25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,20-21,27-28H,2,13-16H2,1H3
InChIKeyQYVSXNCSYIAWBP-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one?
The IUPAC name of 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one (CID 145301929) is 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one.
What is the SMILES notation for 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one?
The canonical SMILES for 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one is CCC(=O)CNC(CNC1(C(F)(F)F)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one?
The InChIKey is QYVSXNCSYIAWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O/c1-2-19(29)15-27-20(16-28-22(13-14-22)23(24,25)26)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,20-21,27-28H,2,13-16H2,1H3.
What are the key properties of 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one?
1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one has a molecular weight of 404.48 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,1-diphenyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-yl]amino]butan-2-one is sourced from PubChem (CID 145301929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).