N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide

C19H20N2O2 — CID 4928918

IUPACN-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1ccc(C)cc1C
InChIInChI=1S/C19H20N2O2/c1-4-11-23-18-8-6-5-7-17(18)19(22)21-20-13-16-10-9-14(2)12-15(16)3/h4-10,12-13H,1,11H2,2-3H3,(H,21,22)
InChIKeyFYTDWUOHABPWIX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.63
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide

N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928918) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928918
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1ccc(C)cc1C
InChIInChI=1S/C19H20N2O2/c1-4-11-23-18-8-6-5-7-17(18)19(22)21-20-13-16-10-9-14(2)12-15(16)3/h4-10,12-13H,1,11H2,2-3H3,(H,21,22)
InChIKeyFYTDWUOHABPWIX-UHFFFAOYSA-N
XLogP3.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928852
N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928862
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-nitro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788854
2-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126055611
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 6893140
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 7928974
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide (CID 4928918) is N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=Cc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is FYTDWUOHABPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-11-23-18-8-6-5-7-17(18)19(22)21-20-13-16-10-9-14(2)12-15(16)3/h4-10,12-13H,1,11H2,2-3H3,(H,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).