N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide

C17H18N2O3 — CID 71458967

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCOc1ccc(/C=N/N(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-19(17(20)14-7-5-4-6-8-14)18-12-13-9-10-15(21-2)16(11-13)22-3/h4-12H,1-3H3/b18-12+
InChIKeyZKKIMIBBUMDNHP-LDADJPATSA-N
MW298.34 g/mol
LogP2.81
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide (PubChem CID 71458967) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide
PubChem CID71458967
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCOc1ccc(/C=N/N(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-19(17(20)14-7-5-4-6-8-14)18-12-13-9-10-15(21-2)16(11-13)22-3/h4-12H,1-3H3/b18-12+
InChIKeyZKKIMIBBUMDNHP-LDADJPATSA-N
XLogP2.81
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide (CID 71458967) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide is COc1ccc(/C=N/N(C)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide?
The InChIKey is ZKKIMIBBUMDNHP-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19(17(20)14-7-5-4-6-8-14)18-12-13-9-10-15(21-2)16(11-13)22-3/h4-12H,1-3H3/b18-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methylbenzamide is sourced from PubChem (CID 71458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).