2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide

C17H18N2O4 — CID 136814303

IUPAC2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
SMILESCCOc1ccc(O)c(/C=N/CC(=O)Nc2ccccc2O)c1
InChIInChI=1S/C17H18N2O4/c1-2-23-13-7-8-15(20)12(9-13)10-18-11-17(22)19-14-5-3-4-6-16(14)21/h3-10,20-21H,2,11H2,1H3,(H,19,22)/b18-10+
InChIKeyIWOJRZNQFDAOPB-VCHYOVAHSA-N
MW314.34 g/mol
LogP2.55
Rot. Bonds6

About 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide

2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide (PubChem CID 136814303) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
PubChem CID136814303
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
SMILESCCOc1ccc(O)c(/C=N/CC(=O)Nc2ccccc2O)c1
InChIInChI=1S/C17H18N2O4/c1-2-23-13-7-8-15(20)12(9-13)10-18-11-17(22)19-14-5-3-4-6-16(14)21/h3-10,20-21H,2,11H2,1H3,(H,19,22)/b18-10+
InChIKeyIWOJRZNQFDAOPB-VCHYOVAHSA-N
XLogP2.55
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558
N-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814304
N-[3-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]propyl]methanesulfonamide
CID 136575617
4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
CID 136730298
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
CID 135598021
2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
CID 136819093
4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
CID 136759251
2-[3-[[(E)-3-(4-ethoxyphenyl)-2-phenylprop-2-enoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764289

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide (CID 136814303) is 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide is CCOc1ccc(O)c(/C=N/CC(=O)Nc2ccccc2O)c1.
What is the InChIKey of 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide?
The InChIKey is IWOJRZNQFDAOPB-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-23-13-7-8-15(20)12(9-13)10-18-11-17(22)19-14-5-3-4-6-16(14)21/h3-10,20-21H,2,11H2,1H3,(H,19,22)/b18-10+.
What are the key properties of 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide?
2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 136814303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).