N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C20H32N2O2 — CID 146907182

IUPACN'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(C)(O)C2CCCCC2)cc1C
InChIInChI=1S/C20H32N2O2/c1-6-22(4)14-21-18-13-19(24-5)17(12-15(18)2)20(3,23)16-10-8-7-9-11-16/h12-14,16,23H,6-11H2,1-5H3/b21-14+
InChIKeyAAPBYERSSJAQBW-KGENOOAVSA-N
MW332.49 g/mol
LogP4.40
Rot. Bonds6

About N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146907182) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146907182
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(C)(O)C2CCCCC2)cc1C
InChIInChI=1S/C20H32N2O2/c1-6-22(4)14-21-18-13-19(24-5)17(12-15(18)2)20(3,23)16-10-8-7-9-11-16/h12-14,16,23H,6-11H2,1-5H3/b21-14+
InChIKeyAAPBYERSSJAQBW-KGENOOAVSA-N
XLogP4.40
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.40
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'}

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Related Compounds

N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 147037586
N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 134531708
N-ethyl-N'-[5-methoxy-2-methyl-4-[1,1,1-trifluoro-2-hydroxy-3-(2-methylpropoxy)propan-2-yl]phenyl]-N-methylmethanimidamide
CID 134531766
N'-[4-[(4E)-4-ethoxyimino-1,1,1-trifluoro-2-hydroxypentan-2-yl]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 137362213
N-ethyl-N'-[2-ethyl-5-methoxy-4-[2,2,2-trifluoro-1-hydroxy-1-(oxan-4-yl)ethyl]phenyl]-N-methylmethanimidamide
CID 162620608
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655938
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
(4-methylphenyl)methyl 5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methoxybenzoate
CID 155325203
N'-[4-[(E)-cyclopropylmethoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 87490304
N'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
N-[[3-[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenoxy]phenyl]-methyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 146546070

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 146907182) is N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(C(C)(O)C2CCCCC2)cc1C.
What is the InChIKey of N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is AAPBYERSSJAQBW-KGENOOAVSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-22(4)14-21-18-13-19(24-5)17(12-15(18)2)20(3,23)16-10-8-7-9-11-16/h12-14,16,23H,6-11H2,1-5H3/b21-14+.
What are the key properties of N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 332.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).