N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide

C18H20N2O3 — CID 6893140

IUPACN-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-6-14(13(2)7-12)11-19-20-18(21)15-8-16(22-3)10-17(9-15)23-4/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKeyDBHXLJRJNGRDIF-YBFXNURJSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds5

About N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide

N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide (PubChem CID 6893140) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
PubChem CID6893140
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20N2O3/c1-12-5-6-14(13(2)7-12)11-19-20-18(21)15-8-16(22-3)10-17(9-15)23-4/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKeyDBHXLJRJNGRDIF-YBFXNURJSA-N
XLogP3.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460639
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
N-[(2,4-dimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2593022
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-4-(naphthalen-2-yloxymethyl)benzamide
CID 7928974
N-(2,5-dimethylphenyl)-N'-[(4-methoxy-2-methylphenyl)methylideneamino]butanediamide
CID 4290564

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide (CID 6893140) is N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)cc2C)c1.
What is the InChIKey of N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is DBHXLJRJNGRDIF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-6-14(13(2)7-12)11-19-20-18(21)15-8-16(22-3)10-17(9-15)23-4/h5-11H,1-4H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide?
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethylphenyl)methylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 6893140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).