N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

C17H18N2O5 — CID 5404952

IUPACN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C17H18N2O5/c1-22-13-4-6-14(7-5-13)24-11-17(21)19-18-10-12-3-8-16(23-2)15(20)9-12/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10-
InChIKeyFRKMGRLQHGRXGJ-ZDLGFXPLSA-N
MW330.34 g/mol
LogP1.94
Rot. Bonds7

About N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide

N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 5404952) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
PubChem CID5404952
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C17H18N2O5/c1-22-13-4-6-14(7-5-13)24-11-17(21)19-18-10-12-3-8-16(23-2)15(20)9-12/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10-
InChIKeyFRKMGRLQHGRXGJ-ZDLGFXPLSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
2-(4-bromophenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1180564
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878
2-(4-acetamidophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135528703
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5448423
N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide (CID 5404952) is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is FRKMGRLQHGRXGJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-13-4-6-14(7-5-13)24-11-17(21)19-18-10-12-3-8-16(23-2)15(20)9-12/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide?
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 330.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 5404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).