(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride

C18H26ClF3N2O3 — CID 70064539

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C18H25F3N2O3.ClH/c1-26-15-8-7-12(18(19,20)21)10-14(15)23-17(25)16(24)13(22)9-11-5-3-2-4-6-11;/h7-8,10-11,13,16,24H,2-6,9,22H2,1H3,(H,23,25);1H/t13-,16?;/m1./s1
InChIKeyCUVYDDAMZYGALV-FMVIYNIGSA-N
MW410.86 g/mol
LogP3.73
Rot. Bonds6

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 70064539) has the molecular formula C18H26ClF3N2O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID70064539
Molecular FormulaC18H26ClF3N2O3
Molecular Weight410.86 g/mol
Exact Mass410.16
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C18H25F3N2O3.ClH/c1-26-15-8-7-12(18(19,20)21)10-14(15)23-17(25)16(24)13(22)9-11-5-3-2-4-6-11;/h7-8,10-11,13,16,24H,2-6,9,22H2,1H3,(H,23,25);1H/t13-,16?;/m1./s1
InChIKeyCUVYDDAMZYGALV-FMVIYNIGSA-N
XLogP3.73
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
3-amino-4-cyclohexyl-2-hydroxy-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyl]butanamide
CID 21198835
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
methyl 4-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylate;hydrochloride
CID 70062887
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
(2S)-2-cyclopentyl-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 42544780
1-cyclohexyl-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea;3-(methoxymethyl)pyridine
CID 145268916

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 70064539) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride is COc1ccc(C(F)(F)F)cc1NC(=O)C(O)[C@H](N)CC1CCCCC1.Cl.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is CUVYDDAMZYGALV-FMVIYNIGSA-N. The full InChI is InChI=1S/C18H25F3N2O3.ClH/c1-26-15-8-7-12(18(19,20)21)10-14(15)23-17(25)16(24)13(22)9-11-5-3-2-4-6-11;/h7-8,10-11,13,16,24H,2-6,9,22H2,1H3,(H,23,25);1H/t13-,16?;/m1./s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 410.86 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 70064539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).