4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

C18H18N2O3 — CID 6302836

IUPAC4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-15(17)13-19-20-18(21)14-8-10-16(22-2)11-9-14/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13-
InChIKeyHSTODEZSGYYFIE-UYRXBGFRSA-N
MW310.35 g/mol
LogP3.02
Rot. Bonds7

About 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 6302836) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID6302836
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-15(17)13-19-20-18(21)14-8-10-16(22-2)11-9-14/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13-
InChIKeyHSTODEZSGYYFIE-UYRXBGFRSA-N
XLogP3.02
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 45054684
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 4683985
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
4-[[2-[(E)-[(3-methoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126328863
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126316627

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 6302836) is 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is HSTODEZSGYYFIE-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-12-23-17-7-5-4-6-15(17)13-19-20-18(21)14-8-10-16(22-2)11-9-14/h3-11,13H,1,12H2,2H3,(H,20,21)/b19-13-.
What are the key properties of 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6302836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).