N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide

C25H36F3N3O — CID 89119183

IUPACN-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide
SMILESC=C(NCC1CCC(NCC(=O)N(C)C2CCCC2)CC1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C25H36F3N3O/c1-17-12-20(14-21(13-17)25(26,27)28)18(2)29-15-19-8-10-22(11-9-19)30-16-24(32)31(3)23-6-4-5-7-23/h12-14,19,22-23,29-30H,2,4-11,15-16H2,1,3H3
InChIKeyOKDBQFFXKLEHON-UHFFFAOYSA-N
MW451.58 g/mol
LogP5.12
Rot. Bonds8

About N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide

N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide (PubChem CID 89119183) has the molecular formula C25H36F3N3O and a molecular weight of 451.58 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide
PubChem CID89119183
Molecular FormulaC25H36F3N3O
Molecular Weight451.58 g/mol
Exact Mass451.28
IUPAC NameN-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide
SMILESC=C(NCC1CCC(NCC(=O)N(C)C2CCCC2)CC1)c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C25H36F3N3O/c1-17-12-20(14-21(13-17)25(26,27)28)18(2)29-15-19-8-10-22(11-9-19)30-16-24(32)31(3)23-6-4-5-7-23/h12-14,19,22-23,29-30H,2,4-11,15-16H2,1,3H3
InChIKeyOKDBQFFXKLEHON-UHFFFAOYSA-N
XLogP5.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.58
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide 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 N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide (CID 89119183) is N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide is C=C(NCC1CCC(NCC(=O)N(C)C2CCCC2)CC1)c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide?
The InChIKey is OKDBQFFXKLEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N3O/c1-17-12-20(14-21(13-17)25(26,27)28)18(2)29-15-19-8-10-22(11-9-19)30-16-24(32)31(3)23-6-4-5-7-23/h12-14,19,22-23,29-30H,2,4-11,15-16H2,1,3H3.
What are the key properties of N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide?
N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide has a molecular weight of 451.58 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-2-[[4-[[1-[3-methyl-5-(trifluoromethyl)phenyl]ethenylamino]methyl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 89119183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).