N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide

C18H30N2O2 — CID 147037586

IUPACN-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(C)(O)CC(C)C)cc1C
InChIInChI=1S/C18H30N2O2/c1-8-20(6)12-19-16-10-17(22-7)15(9-14(16)4)18(5,21)11-13(2)3/h9-10,12-13,21H,8,11H2,1-7H3/b19-12+
InChIKeyAYUSDYVGKUUUKV-XDHOZWIPSA-N
MW306.45 g/mol
LogP3.87
Rot. Bonds7

About N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 147037586) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
PubChem CID147037586
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(C)(O)CC(C)C)cc1C
InChIInChI=1S/C18H30N2O2/c1-8-20(6)12-19-16-10-17(22-7)15(9-14(16)4)18(5,21)11-13(2)3/h9-10,12-13,21H,8,11H2,1-7H3/b19-12+
InChIKeyAYUSDYVGKUUUKV-XDHOZWIPSA-N
XLogP3.87
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.87
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'-[5-methoxy-2-methyl-4-[1,1,1-trifluoro-2-hydroxy-3-(2-methylpropoxy)propan-2-yl]phenyl]-N-methylmethanimidamide
CID 134531766
N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146907182
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'-[4-[(4E)-4-ethoxyimino-1,1,1-trifluoro-2-hydroxypentan-2-yl]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 137362213
N'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[5-methoxy-2-methyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-hydroxyethyl]phenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 129274745
N'-[4-[(E)-3,3-dimethylbutoxyiminomethyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 87493713
N'-[2,5-dimethyl-4-(propan-2-yloxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 74931905
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655938
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N-ethyl-N'-[2-ethyl-5-methoxy-4-[2,2,2-trifluoro-1-hydroxy-1-(oxan-4-yl)ethyl]phenyl]-N-methylmethanimidamide
CID 162620608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide (CID 147037586) is N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(C(C)(O)CC(C)C)cc1C.
What is the InChIKey of N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is AYUSDYVGKUUUKV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-8-20(6)12-19-16-10-17(22-7)15(9-14(16)4)18(5,21)11-13(2)3/h9-10,12-13,21H,8,11H2,1-7H3/b19-12+.
What are the key properties of N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 306.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 147037586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).