N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide

C18H25F3N2O — CID 119590512

IUPACN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESNCC(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)15(13-7-3-1-4-8-13)11-17(24)23-16(12-22)14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12,22H2,(H,23,24)
InChIKeyZEKXHTHPYPGDGU-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.75
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide

N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide (PubChem CID 119590512) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
PubChem CID119590512
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESNCC(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)15(13-7-3-1-4-8-13)11-17(24)23-16(12-22)14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12,22H2,(H,23,24)
InChIKeyZEKXHTHPYPGDGU-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
CID 119591290
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
CID 119616015
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide (CID 119590512) is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide is NCC(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide?
The InChIKey is ZEKXHTHPYPGDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)15(13-7-3-1-4-8-13)11-17(24)23-16(12-22)14-9-5-2-6-10-14/h1,3-4,7-8,14-16H,2,5-6,9-12,22H2,(H,23,24).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide?
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide has a molecular weight of 342.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide is sourced from PubChem (CID 119590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).