N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C19H22N2O4 — CID 135603998

IUPACN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccccc2C(C)C)c(O)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)16-6-4-5-7-18(16)25-12-19(23)21-20-11-14-8-9-15(24-3)10-17(14)22/h4-11,13,22H,12H2,1-3H3,(H,21,23)
InChIKeyPGCTZVMJESPCGA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.05
Rot. Bonds7

About N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 135603998) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID135603998
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccccc2C(C)C)c(O)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)16-6-4-5-7-18(16)25-12-19(23)21-20-11-14-8-9-15(24-3)10-17(14)22/h4-11,13,22H,12H2,1-3H3,(H,21,23)
InChIKeyPGCTZVMJESPCGA-UHFFFAOYSA-N
XLogP3.05
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135685669
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135479468
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207980
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 135603998) is N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is COc1ccc(C=NNC(=O)COc2ccccc2C(C)C)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is PGCTZVMJESPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)16-6-4-5-7-18(16)25-12-19(23)21-20-11-14-8-9-15(24-3)10-17(14)22/h4-11,13,22H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).