N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

C22H23N3O3 — CID 137100889

IUPACN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESCCOc1cc(/C=N/N=C(\N)CC(O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C22H23N3O3/c1-2-28-21-12-15(10-11-19(21)26)14-24-25-22(23)13-20(27)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,14,20,26-27H,2,13H2,1H3,(H2,23,25)/b24-14+
InChIKeyOETRYLGCFIPHOZ-ZVHZXABRSA-N
MW377.44 g/mol
LogP3.76
Rot. Bonds7

About N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (PubChem CID 137100889) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
PubChem CID137100889
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESCCOc1cc(/C=N/N=C(\N)CC(O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C22H23N3O3/c1-2-28-21-12-15(10-11-19(21)26)14-24-25-22(23)13-20(27)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,14,20,26-27H,2,13H2,1H3,(H2,23,25)/b24-14+
InChIKeyOETRYLGCFIPHOZ-ZVHZXABRSA-N
XLogP3.76
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (CID 137100889) is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The canonical SMILES for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is CCOc1cc(/C=N/N=C(\N)CC(O)c2cccc3ccccc23)ccc1O.
What is the InChIKey of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The InChIKey is OETRYLGCFIPHOZ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-21-12-15(10-11-19(21)26)14-24-25-22(23)13-20(27)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,14,20,26-27H,2,13H2,1H3,(H2,23,25)/b24-14+.
What are the key properties of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide has a molecular weight of 377.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is sourced from PubChem (CID 137100889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).