3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

C22H24N2O4 — CID 126336930

IUPAC3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1
InChIInChI=1S/C22H24N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h4-5,7-12,15-16H,1-2,6,13-14H2,3H3,(H,24,25)/b23-16+
InChIKeyBIKQDDPTHIPARD-XQNSMLJCSA-N
MW380.44 g/mol
LogP3.98
Rot. Bonds11

About 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide

3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 126336930) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID126336930
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(/C=N/NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1
InChIInChI=1S/C22H24N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h4-5,7-12,15-16H,1-2,6,13-14H2,3H3,(H,24,25)/b23-16+
InChIKeyBIKQDDPTHIPARD-XQNSMLJCSA-N
XLogP3.98
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
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-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126323934
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137143665
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5126030
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319051
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126327597
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137160331
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 126336930) is 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1.
What is the InChIKey of 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is BIKQDDPTHIPARD-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-13-27-19-10-7-17(8-11-19)16-23-24-22(25)18-9-12-20(28-14-5-2)21(15-18)26-6-3/h4-5,7-12,15-16H,1-2,6,13-14H2,3H3,(H,24,25)/b23-16+.
What are the key properties of 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide?
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126336930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).