4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

C20H21N3O4 — CID 45054684

IUPAC4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O4/c1-3-12-27-18-7-5-4-6-16(18)13-22-23-19(24)14-21-20(25)15-8-10-17(26-2)11-9-15/h3-11,13H,1,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKeyLCPCAJQHASSSFV-LPYMAVHISA-N
MW367.41 g/mol
LogP2.14
Rot. Bonds9

About 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 45054684) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID45054684
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H21N3O4/c1-3-12-27-18-7-5-4-6-16(18)13-22-23-19(24)14-21-20(25)15-8-10-17(26-2)11-9-15/h3-11,13H,1,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+
InChIKeyLCPCAJQHASSSFV-LPYMAVHISA-N
XLogP2.14
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 51061317
4-ethoxy-N-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3548938
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655
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-butoxy-N-[2-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 43948527

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 45054684) is 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is LCPCAJQHASSSFV-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-12-27-18-7-5-4-6-16(18)13-22-23-19(24)14-21-20(25)15-8-10-17(26-2)11-9-15/h3-11,13H,1,12,14H2,2H3,(H,21,25)(H,23,24)/b22-13+.
What are the key properties of 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 45054684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).