N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide

C19H18N2O5 — CID 137051285

IUPACN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3cccc(OC)c3o2)ccc1O
InChIInChI=1S/C19H18N2O5/c1-3-25-16-9-12(7-8-14(16)22)11-20-21-19(23)17-10-13-5-4-6-15(24-2)18(13)26-17/h4-11,22H,3H2,1-2H3,(H,21,23)/b20-11-
InChIKeyGKMIHCGUVBHOCR-JAIQZWGSSA-N
MW354.36 g/mol
LogP3.31
Rot. Bonds6

About N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide

N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 137051285) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID137051285
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc3cccc(OC)c3o2)ccc1O
InChIInChI=1S/C19H18N2O5/c1-3-25-16-9-12(7-8-14(16)22)11-20-21-19(23)17-10-13-5-4-6-15(24-2)18(13)26-17/h4-11,22H,3H2,1-2H3,(H,21,23)/b20-11-
InChIKeyGKMIHCGUVBHOCR-JAIQZWGSSA-N
XLogP3.31
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3842687
7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50853406
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192822

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide (CID 137051285) is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide is CCOc1cc(/C=N\NC(=O)c2cc3cccc(OC)c3o2)ccc1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is GKMIHCGUVBHOCR-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-25-16-9-12(7-8-14(16)22)11-20-21-19(23)17-10-13-5-4-6-15(24-2)18(13)26-17/h4-11,22H,3H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 137051285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).