N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide

C19H22N2O2 — CID 142018083

IUPACN'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
SMILESC=C/N=C(/Nc1cccc(C)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H22N2O2/c1-6-20-19(21-15-9-7-8-13(2)10-15)16-12-18(23-5)17(22-4)11-14(16)3/h6-12H,1H2,2-5H3,(H,20,21)
InChIKeyLYIBBQWIPYYNHL-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.32
Rot. Bonds5

About N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide

N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide (PubChem CID 142018083) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
PubChem CID142018083
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
SMILESC=C/N=C(/Nc1cccc(C)c1)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C19H22N2O2/c1-6-20-19(21-15-9-7-8-13(2)10-15)16-12-18(23-5)17(22-4)11-14(16)3/h6-12H,1H2,2-5H3,(H,20,21)
InChIKeyLYIBBQWIPYYNHL-UHFFFAOYSA-N
XLogP4.32
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.32
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

5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
CID 142164673
1-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136816674
[3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] 2-amino-N-ethenyl-4,5-dimethoxybenzenecarboximidothioate
CID 143865342
1-(3-chloro-4-methoxyphenyl)-3-(3-methylphenyl)thiourea
CID 19677523
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)thiourea
CID 53488470
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8897867
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
methyl (Z)-3-(3-methylanilino)but-2-enoate
CID 129322620
1-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5331566

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide (CID 142018083) is N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide is C=C/N=C(/Nc1cccc(C)c1)c1cc(OC)c(OC)cc1C.
What is the InChIKey of N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
The InChIKey is LYIBBQWIPYYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-6-20-19(21-15-9-7-8-13(2)10-15)16-12-18(23-5)17(22-4)11-14(16)3/h6-12H,1H2,2-5H3,(H,20,21).
What are the key properties of N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide?
N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide has a molecular weight of 310.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-4,5-dimethoxy-2-methyl-N-(3-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 142018083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).