2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C16H17N3O2 — CID 7334133

IUPAC2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C/c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-7-13(2)9-15(8-12)21-11-16(20)19-18-10-14-5-3-4-6-17-14/h3-10H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeyDYULVNZNKMOIEA-VCHYOVAHSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 7334133) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID7334133
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C/c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-7-13(2)9-15(8-12)21-11-16(20)19-18-10-14-5-3-4-6-17-14/h3-10H,11H2,1-2H3,(H,19,20)/b18-10+
InChIKeyDYULVNZNKMOIEA-VCHYOVAHSA-N
XLogP2.23
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 7334133) is 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccn2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is DYULVNZNKMOIEA-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-7-13(2)9-15(8-12)21-11-16(20)19-18-10-14-5-3-4-6-17-14/h3-10H,11H2,1-2H3,(H,19,20)/b18-10+.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 7334133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).