2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide

C19H22N2O4 — CID 110505829

IUPAC2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(/C=N/NC(=O)c2ccccc2OC)cccc1OC
InChIInChI=1S/C19H22N2O4/c1-4-12-25-18-14(8-7-11-17(18)24-3)13-20-21-19(22)15-9-5-6-10-16(15)23-2/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b20-13+
InChIKeyPXHYVOBIZAHJDQ-DEDYPNTBSA-N
MW342.40 g/mol
LogP3.26
Rot. Bonds8

About 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide

2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide (PubChem CID 110505829) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
PubChem CID110505829
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1c(/C=N/NC(=O)c2ccccc2OC)cccc1OC
InChIInChI=1S/C19H22N2O4/c1-4-12-25-18-14(8-7-11-17(18)24-3)13-20-21-19(22)15-9-5-6-10-16(15)23-2/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b20-13+
InChIKeyPXHYVOBIZAHJDQ-DEDYPNTBSA-N
XLogP3.26
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
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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Related Compounds

N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-fluoro-N-[3-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3269745
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
2-[2-methoxy-6-[[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 3294839
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide (CID 110505829) is 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide is CCCOc1c(/C=N/NC(=O)c2ccccc2OC)cccc1OC.
What is the InChIKey of 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is PXHYVOBIZAHJDQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-12-25-18-14(8-7-11-17(18)24-3)13-20-21-19(22)15-9-5-6-10-16(15)23-2/h5-11,13H,4,12H2,1-3H3,(H,21,22)/b20-13+.
What are the key properties of 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide?
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110505829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).