N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C28H34N2O — CID 68595820

IUPACN'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C
InChIInChI=1S/C28H34N2O/c1-8-30(7)19-29-26-17-21(3)27(18-20(26)2)31-25-15-11-23(12-16-25)22-9-13-24(14-10-22)28(4,5)6/h9-19H,8H2,1-7H3/b29-19+
InChIKeyFXIYTIPGYPLXPF-VUTHCHCSSA-N
MW414.59 g/mol
LogP7.67
Rot. Bonds6

About N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68595820) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68595820
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C
InChIInChI=1S/C28H34N2O/c1-8-30(7)19-29-26-17-21(3)27(18-20(26)2)31-25-15-11-23(12-16-25)22-9-13-24(14-10-22)28(4,5)6/h9-19H,8H2,1-7H3/b29-19+
InChIKeyFXIYTIPGYPLXPF-VUTHCHCSSA-N
XLogP7.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-[2,5-dimethyl-4-[4-(4-methylsulfanylphenyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68598189
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589913
N-ethyl-N'-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 58214447
N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
N'-[4-[4-chloro-3-(1,1,2,2-tetrafluoroethylsulfanyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 90358578
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68588568
N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69042396
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
N'-[2,5-dimethyl-4-[4-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197813
N'-[2,5-dimethyl-4-[2-(3,3,3-trifluoropropylsulfanyl)pyrimidin-4-yl]oxyphenyl]-N-ethyl-N-methylmethanimidamide
CID 155095396
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 68595820) is N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C.
What is the InChIKey of N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is FXIYTIPGYPLXPF-VUTHCHCSSA-N. The full InChI is InChI=1S/C28H34N2O/c1-8-30(7)19-29-26-17-21(3)27(18-20(26)2)31-25-15-11-23(12-16-25)22-9-13-24(14-10-22)28(4,5)6/h9-19H,8H2,1-7H3/b29-19+.
What are the key properties of N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 414.59 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-(4-tert-butylphenyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68595820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).