4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

C15H17F3N2O3 — CID 141062160

IUPAC4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(C#N)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-13(2,8-14(22,12(20)21)15(16,17)18)10-5-4-9(7-19)6-11(10)23-3/h4-6,22H,8H2,1-3H3,(H2,20,21)
InChIKeyIOYCTIDLANRFPP-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.01
Rot. Bonds5

About 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide

4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (PubChem CID 141062160) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
PubChem CID141062160
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
SMILESCOc1cc(C#N)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-13(2,8-14(22,12(20)21)15(16,17)18)10-5-4-9(7-19)6-11(10)23-3/h4-6,22H,8H2,1-3H3,(H2,20,21)
InChIKeyIOYCTIDLANRFPP-UHFFFAOYSA-N
XLogP2.01
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide 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

2-hydroxy-4-(4-iodo-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanamide
CID 141062161
4-(4-cyanophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 18551156
2-(5-cyano-2-methoxyphenyl)-2,2-difluoroacetic acid
CID 106951147
4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzonitrile
CID 10287444
3-[(5-cyano-2-methoxyphenyl)methylamino]-2,2-dimethylpropanamide
CID 106276677
2-(4-cyano-2-methoxyphenoxy)-2-methylpropanoic acid
CID 114992062
3-methoxy-4-(3-oxobutyl)benzonitrile
CID 139369658
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
4-acetyl-3-methoxybenzonitrile
CID 70047109
3-(4-cyano-2-methoxyphenyl)prop-2-enamide
CID 169482899
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide (CID 141062160) is 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is COc1cc(C#N)ccc1C(C)(C)CC(O)(C(N)=O)C(F)(F)F.
What is the InChIKey of 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
The InChIKey is IOYCTIDLANRFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-13(2,8-14(22,12(20)21)15(16,17)18)10-5-4-9(7-19)6-11(10)23-3/h4-6,22H,8H2,1-3H3,(H2,20,21).
What are the key properties of 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide?
4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide has a molecular weight of 330.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 141062160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).