N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide

C18H27F3N2O2 — CID 129274654

IUPACN-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(CC(C)C)C(F)(F)F)cc1C
InChIInChI=1S/C18H27F3N2O2/c1-7-23(5)11-22-15-9-16(25-6)14(8-13(15)4)17(24,10-12(2)3)18(19,20)21/h8-9,11-12,24H,7,10H2,1-6H3/b22-11+
InChIKeyVEXFYFIMEXWMIZ-SSDVNMTOSA-N
MW360.42 g/mol
LogP4.41
Rot. Bonds7

About N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide (PubChem CID 129274654) has the molecular formula C18H27F3N2O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide
PubChem CID129274654
Molecular FormulaC18H27F3N2O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(CC(C)C)C(F)(F)F)cc1C
InChIInChI=1S/C18H27F3N2O2/c1-7-23(5)11-22-15-9-16(25-6)14(8-13(15)4)17(24,10-12(2)3)18(19,20)21/h8-9,11-12,24H,7,10H2,1-6H3/b22-11+
InChIKeyVEXFYFIMEXWMIZ-SSDVNMTOSA-N
XLogP4.41
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide (CID 129274654) is N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(C(O)(CC(C)C)C(F)(F)F)cc1C.
What is the InChIKey of N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide?
The InChIKey is VEXFYFIMEXWMIZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H27F3N2O2/c1-7-23(5)11-22-15-9-16(25-6)14(8-13(15)4)17(24,10-12(2)3)18(19,20)21/h8-9,11-12,24H,7,10H2,1-6H3/b22-11+.
What are the key properties of N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide has a molecular weight of 360.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-methoxy-2-methyl-4-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-2-yl)phenyl]-N-methylmethanimidamide is sourced from PubChem (CID 129274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).