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

C17H23F3N2O2 — CID 21198992

IUPAC3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-7-4-8-13(10-12)22-16(24)15(23)14(21)9-11-5-2-1-3-6-11/h4,7-8,10-11,14-15,23H,1-3,5-6,9,21H2,(H,22,24)
InChIKeyMKWQOWIRHYHTSJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.30
Rot. Bonds5

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

3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 21198992) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID21198992
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O2/c18-17(19,20)12-7-4-8-13(10-12)22-16(24)15(23)14(21)9-11-5-2-1-3-6-11/h4,7-8,10-11,14-15,23H,1-3,5-6,9,21H2,(H,22,24)
InChIKeyMKWQOWIRHYHTSJ-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(R)-N-(3-Aminomethyl-phenyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44308818
(2R)-2-hydroxy-N-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-phthalazin-1-yl)methyl]phenyl]-4-phenylbutanamide
CID 124220990
(S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanamido)-4-methyl-N-o-tolylpentanamide hydrochloride (9b)
CID 129625723
9,9,9-trifluoro-8-hydroxy-N-(3-phenylphenyl)nonanamide
CID 44343045
1-(2-Cyclohexyl-2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 56764377
2-Hydroxy-N,3-diphenylpropanamide
CID 564744
N-(2-Fluoro-5-methylphenyl)-3-{[(1R)-2-hydroxy-1-phenylethyl]amino}propanamide
CID 50962714
N1-(2-cyclohexyl-2-hydroxyethyl)-N2-(4-(trifluoromethyl)phenyl)oxalamide
CID 56764358
(2S)-3-cyclohexyl-2-hydroxy-N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 124854002
cis-(1R,3S)-N-[3-(aminomethyl)phenyl]-3-(trifluoromethoxy)cyclohexane-1-carboxamide
CID 177664946
(3R)-3-amino-4-cyclohexyl-N-[(2-fluorophenyl)methyl]-2-hydroxybutanamide
CID 9901208
N-(2-hydroxy-1-phenylethyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 17966480

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide (CID 21198992) is 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide is NC(CC1CCCCC1)C(O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MKWQOWIRHYHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c18-17(19,20)12-7-4-8-13(10-12)22-16(24)15(23)14(21)9-11-5-2-1-3-6-11/h4,7-8,10-11,14-15,23H,1-3,5-6,9,21H2,(H,22,24).
What are the key properties of 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide?
3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 344.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-2-hydroxy-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 21198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).