2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide

C18H18N2O5 — CID 126109428

IUPAC2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc2c(cc1/C=N/NC(=O)c1ccc(C)cc1OC)OCO2
InChIInChI=1S/C18H18N2O5/c1-11-4-5-13(15(6-11)23-3)18(21)20-19-9-12-7-16-17(25-10-24-16)8-14(12)22-2/h4-9H,10H2,1-3H3,(H,20,21)/b19-9+
InChIKeyAJRDOJHQCSBNKT-DJKKODMXSA-N
MW342.35 g/mol
LogP2.50
Rot. Bonds5

About 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide

2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide (PubChem CID 126109428) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
PubChem CID126109428
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
SMILESCOc1cc2c(cc1/C=N/NC(=O)c1ccc(C)cc1OC)OCO2
InChIInChI=1S/C18H18N2O5/c1-11-4-5-13(15(6-11)23-3)18(21)20-19-9-12-7-16-17(25-10-24-16)8-14(12)22-2/h4-9H,10H2,1-3H3,(H,20,21)/b19-9+
InChIKeyAJRDOJHQCSBNKT-DJKKODMXSA-N
XLogP2.50
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-chloro-N-[(Z)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
CID 126058894
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
4-fluoro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126075233
N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 126111152
5-bromo-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-methoxybenzamide
CID 126100905
3,4-dichloro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126109970
2-methoxy-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6042961
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 126090672
[2-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 4689254
2-chloro-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594
[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]urea
CID 168532816

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide (CID 126109428) is 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide is COc1cc2c(cc1/C=N/NC(=O)c1ccc(C)cc1OC)OCO2.
What is the InChIKey of 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is AJRDOJHQCSBNKT-DJKKODMXSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-4-5-13(15(6-11)23-3)18(21)20-19-9-12-7-16-17(25-10-24-16)8-14(12)22-2/h4-9H,10H2,1-3H3,(H,20,21)/b19-9+.
What are the key properties of 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide?
2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 342.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 126109428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).