4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide

C24H29F3N2O — CID 154663741

IUPAC4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H29F3N2O/c25-24(26,27)20-11-9-19(10-12-20)17-28-21-13-15-22(16-14-21)29-23(30)8-4-7-18-5-2-1-3-6-18/h9-16,18,28H,1-8,17H2,(H,29,30)
InChIKeyPHUJZLUCFOSGGG-UHFFFAOYSA-N
MW418.50 g/mol
LogP7.01
Rot. Bonds8

About 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide

4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide (PubChem CID 154663741) has the molecular formula C24H29F3N2O and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
PubChem CID154663741
Molecular FormulaC24H29F3N2O
Molecular Weight418.50 g/mol
Exact Mass418.22
IUPAC Name4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H29F3N2O/c25-24(26,27)20-11-9-19(10-12-20)17-28-21-13-15-22(16-14-21)29-23(30)8-4-7-18-5-2-1-3-6-18/h9-16,18,28H,1-8,17H2,(H,29,30)
InChIKeyPHUJZLUCFOSGGG-UHFFFAOYSA-N
XLogP7.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664
3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
CID 154663584
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663601
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide (CID 154663741) is 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide is O=C(CCCC1CCCCC1)Nc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide?
The InChIKey is PHUJZLUCFOSGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O/c25-24(26,27)20-11-9-19(10-12-20)17-28-21-13-15-22(16-14-21)29-23(30)8-4-7-18-5-2-1-3-6-18/h9-16,18,28H,1-8,17H2,(H,29,30).
What are the key properties of 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide?
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide has a molecular weight of 418.50 g/mol, XLogP of 7.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide is sourced from PubChem (CID 154663741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).