N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide

C18H20N2O4 — CID 71453591

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(/C=N/N(C)C(=O)c2ccccc2OC)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(18(21)14-7-5-6-8-15(14)22-2)19-12-13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b19-12+
InChIKeyIFHDVPYZWWZGOY-XDHOZWIPSA-N
MW328.37 g/mol
LogP2.82
Rot. Bonds6

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide (PubChem CID 71453591) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide
PubChem CID71453591
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(/C=N/N(C)C(=O)c2ccccc2OC)cc1OC
InChIInChI=1S/C18H20N2O4/c1-20(18(21)14-7-5-6-8-15(14)22-2)19-12-13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b19-12+
InChIKeyIFHDVPYZWWZGOY-XDHOZWIPSA-N
XLogP2.82
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide (CID 71453591) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide is COc1ccc(/C=N/N(C)C(=O)c2ccccc2OC)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide?
The InChIKey is IFHDVPYZWWZGOY-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(18(21)14-7-5-6-8-15(14)22-2)19-12-13-9-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b19-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 71453591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).