2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

C18H20N2O3 — CID 135590182

IUPAC2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2cccc(C)c2O)c1C
InChIInChI=1S/C18H20N2O3/c1-12-6-5-9-16(14(12)3)23-11-17(21)20-19-10-15-8-4-7-13(2)18(15)22/h4-10,22H,11H2,1-3H3,(H,20,21)/b19-10+
InChIKeyGBLYMQVHARSXFV-VXLYETTFSA-N
MW312.37 g/mol
LogP2.85
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (PubChem CID 135590182) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
PubChem CID135590182
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C/c2cccc(C)c2O)c1C
InChIInChI=1S/C18H20N2O3/c1-12-6-5-9-16(14(12)3)23-11-17(21)20-19-10-15-8-4-7-13(2)18(15)22/h4-10,22H,11H2,1-3H3,(H,20,21)/b19-10+
InChIKeyGBLYMQVHARSXFV-VXLYETTFSA-N
XLogP2.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-(2,3-dimethylphenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135472355
2-(2,3-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590284
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 71950391
N-[(E)-[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135590282
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135644017

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (CID 135590182) is 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C/c2cccc(C)c2O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The InChIKey is GBLYMQVHARSXFV-VXLYETTFSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-6-5-9-16(14(12)3)23-11-17(21)20-19-10-15-8-4-7-13(2)18(15)22/h4-10,22H,11H2,1-3H3,(H,20,21)/b19-10+.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135590182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).