2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide

C17H18N2O3 — CID 6911005

IUPAC2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-7-13(2)16(8-12)22-11-17(21)19-18-10-14-4-3-5-15(20)9-14/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10+
InChIKeyFADCFJRVTNGEGX-VCHYOVAHSA-N
MW298.34 g/mol
LogP2.54
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide

2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 6911005) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID6911005
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C)c(OCC(=O)N/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-7-13(2)16(8-12)22-11-17(21)19-18-10-14-4-3-5-15(20)9-14/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10+
InChIKeyFADCFJRVTNGEGX-VCHYOVAHSA-N
XLogP2.54
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(2,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6898857
2-(2,5-dimethylphenoxy)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 7801606
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510
2-(2,5-dimethylphenyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126364736
2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 5426420
2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methylideneamino]acetamide
CID 4981135
[3-[(E)-[[2-(2,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 5338022
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide (CID 6911005) is 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(O)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is FADCFJRVTNGEGX-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-7-13(2)16(8-12)22-11-17(21)19-18-10-14-4-3-5-15(20)9-14/h3-10,20H,11H2,1-2H3,(H,19,21)/b18-10+.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6911005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).