3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

C20H22N2O5 — CID 6076839

IUPAC3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-5-10-27-16-8-6-14(7-9-16)13-21-22-20(23)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-9,11-13H,1,10H2,2-4H3,(H,22,23)/b21-13+
InChIKeyRCVKJFVAUJBGLU-FYJGNVAPSA-N
MW370.41 g/mol
LogP3.04
Rot. Bonds9

About 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 6076839) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID6076839
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-5-10-27-16-8-6-14(7-9-16)13-21-22-20(23)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-9,11-13H,1,10H2,2-4H3,(H,22,23)/b21-13+
InChIKeyRCVKJFVAUJBGLU-FYJGNVAPSA-N
XLogP3.04
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135738409
[4-[(E)-[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6162958
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 6130211

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 6076839) is 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is RCVKJFVAUJBGLU-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-5-10-27-16-8-6-14(7-9-16)13-21-22-20(23)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-9,11-13H,1,10H2,2-4H3,(H,22,23)/b21-13+.
What are the key properties of 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6076839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).