2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

C19H22N2O5 — CID 136688651

IUPAC2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H22N2O5/c1-4-26-15-7-6-14(16(22)11-15)12-20-21-19(23)10-13-5-8-17(24-2)18(9-13)25-3/h5-9,11-12,22H,4,10H2,1-3H3,(H,21,23)/b20-12-
InChIKeyFALITLQOMIXKFZ-NDENLUEZSA-N
MW358.39 g/mol
LogP2.50
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136688651) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136688651
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(O)c1
InChIInChI=1S/C19H22N2O5/c1-4-26-15-7-6-14(16(22)11-15)12-20-21-19(23)10-13-5-8-17(24-2)18(9-13)25-3/h5-9,11-12,22H,4,10H2,1-3H3,(H,21,23)/b20-12-
InChIKeyFALITLQOMIXKFZ-NDENLUEZSA-N
XLogP2.50
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 135998435
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
2-(3,4-dimethylphenoxy)-N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135590117
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136801961
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135533021
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579484
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
CID 137145842
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 137168040
2-(4-chlorophenyl)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (CID 136688651) is 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c(O)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is FALITLQOMIXKFZ-NDENLUEZSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-26-15-7-6-14(16(22)11-15)12-20-21-19(23)10-13-5-8-17(24-2)18(9-13)25-3/h5-9,11-12,22H,4,10H2,1-3H3,(H,21,23)/b20-12-.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136688651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).