N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C19H22N2O4 — CID 136914835

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccccc2C(C)C)c1O
InChIInChI=1S/C19H22N2O4/c1-13(2)15-8-4-5-9-16(15)25-12-18(22)21-20-11-14-7-6-10-17(24-3)19(14)23/h4-11,13,23H,12H2,1-3H3,(H,21,22)/b20-11-
InChIKeyXLMAVKMKZCIPNH-JAIQZWGSSA-N
MW342.40 g/mol
LogP3.05
Rot. Bonds7

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 136914835) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID136914835
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cccc(/C=N\NC(=O)COc2ccccc2C(C)C)c1O
InChIInChI=1S/C19H22N2O4/c1-13(2)15-8-4-5-9-16(15)25-12-18(22)21-20-11-14-7-6-10-17(24-3)19(14)23/h4-11,13,23H,12H2,1-3H3,(H,21,22)/b20-11-
InChIKeyXLMAVKMKZCIPNH-JAIQZWGSSA-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

2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603998
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136808297
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 135549613
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 51061337

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 136914835) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is COc1cccc(/C=N\NC(=O)COc2ccccc2C(C)C)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is XLMAVKMKZCIPNH-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)15-8-4-5-9-16(15)25-12-18(22)21-20-11-14-7-6-10-17(24-3)19(14)23/h4-11,13,23H,12H2,1-3H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(Z)-(2-hydroxy-3-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-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 136914835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).