2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide

C17H23F3N2O — CID 59367067

IUPAC2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESNC(CCC1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-16(23)15(21)10-9-12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,21H2,(H,22,23)
InChIKeyDFZRLUPGIVNJAB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.33
Rot. Bonds5

About 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide

2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 59367067) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID59367067
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESNC(CCC1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-16(23)15(21)10-9-12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,21H2,(H,22,23)
InChIKeyDFZRLUPGIVNJAB-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
(2S)-2-amino-4-[4-(aminomethyl)piperidin-1-yl]-4-oxo-N-[(2S)-1-oxo-4-phenyl-1-[3-(trifluoromethyl)anilino]butan-2-yl]butanamide
CID 59366866
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 59367067) is 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide is NC(CCC1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is DFZRLUPGIVNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-16(23)15(21)10-9-12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,21H2,(H,22,23).
What are the key properties of 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 59367067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).