2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide

C17H18N2O5 — CID 6906781

IUPAC2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/O)cc2OC)cc1
InChIInChI=1S/C17H18N2O5/c1-22-14-6-4-13(5-7-14)19-17(20)11-24-15-8-3-12(10-18-21)9-16(15)23-2/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeyMFAVAKPAEKHETJ-VCHYOVAHSA-N
MW330.34 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide

2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 6906781) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID6906781
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/O)cc2OC)cc1
InChIInChI=1S/C17H18N2O5/c1-22-14-6-4-13(5-7-14)19-17(20)11-24-15-8-3-12(10-18-21)9-16(15)23-2/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeyMFAVAKPAEKHETJ-VCHYOVAHSA-N
XLogP2.53
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide (CID 6906781) is 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(/C=N/O)cc2OC)cc1.
What is the InChIKey of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is MFAVAKPAEKHETJ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-14-6-4-13(5-7-14)19-17(20)11-24-15-8-3-12(10-18-21)9-16(15)23-2/h3-10,21H,11H2,1-2H3,(H,19,20)/b18-10+.
What are the key properties of 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6906781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).