2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide

C16H20N4O2 — CID 5410839

IUPAC2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2cn(C)nc2C)c1
InChIInChI=1S/C16H20N4O2/c1-11-5-12(2)7-15(6-11)22-10-16(21)18-17-8-14-9-20(4)19-13(14)3/h5-9H,10H2,1-4H3,(H,18,21)/b17-8-
InChIKeyYTXNPFZQTIYWKA-IUXPMGMMSA-N
MW300.36 g/mol
LogP1.87
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide

2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 5410839) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID5410839
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2cn(C)nc2C)c1
InChIInChI=1S/C16H20N4O2/c1-11-5-12(2)7-15(6-11)22-10-16(21)18-17-8-14-9-20(4)19-13(14)3/h5-9H,10H2,1-4H3,(H,18,21)/b17-8-
InChIKeyYTXNPFZQTIYWKA-IUXPMGMMSA-N
XLogP1.87
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (CID 5410839) is 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is Cc1cc(C)cc(OCC(=O)N/N=C\c2cn(C)nc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is YTXNPFZQTIYWKA-IUXPMGMMSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-5-12(2)7-15(6-11)22-10-16(21)18-17-8-14-9-20(4)19-13(14)3/h5-9H,10H2,1-4H3,(H,18,21)/b17-8-.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 5410839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).