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

C21H23N3O4 — CID 5126030

IUPAC4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C21H23N3O4/c1-4-12-28-19-11-6-16(13-20(19)27-5-2)14-22-24-21(26)17-7-9-18(10-8-17)23-15(3)25/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyCLVJVPIGGUKDSB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.37
Rot. Bonds9

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

4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 5126030) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID5126030
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C21H23N3O4/c1-4-12-28-19-11-6-16(13-20(19)27-5-2)14-22-24-21(26)17-7-9-18(10-8-17)23-15(3)25/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,25)(H,24,26)
InChIKeyCLVJVPIGGUKDSB-UHFFFAOYSA-N
XLogP3.37
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.37
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-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
4-acetamido-N-[[3-ethoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5029534
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126341447
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126323934
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137143665
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126315956
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126319051
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126319007

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 5126030) is 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccc(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1OCC.
What is the InChIKey of 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is CLVJVPIGGUKDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-12-28-19-11-6-16(13-20(19)27-5-2)14-22-24-21(26)17-7-9-18(10-8-17)23-15(3)25/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 381.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5126030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).