2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

C16H19N3O2 — CID 5404365

IUPAC2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccn2C)c1C
InChIInChI=1S/C16H19N3O2/c1-12-6-4-8-15(13(12)2)21-11-16(20)18-17-10-14-7-5-9-19(14)3/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-
InChIKeyVGOWESQLIJCUDT-YVLHZVERSA-N
MW285.35 g/mol
LogP2.17
Rot. Bonds5

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

2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 5404365) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID5404365
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccn2C)c1C
InChIInChI=1S/C16H19N3O2/c1-12-6-4-8-15(13(12)2)21-11-16(20)18-17-10-14-7-5-9-19(14)3/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-
InChIKeyVGOWESQLIJCUDT-YVLHZVERSA-N
XLogP2.17
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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-pyridin-4-ylacetamide
CID 893207
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 5340170
2-{[1,1'-biphenyl]-2-yloxy}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9556721
2-(3,4-dimethylphenoxy)-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
CID 9557728
2-(2-phenylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 9612783
N-[(1E)-2-(2-ethoxyphenyl)-1-azavinyl]-2-pyridylacetamide, chloride
CID 24211106
2-Pyrazoline, 5-hydroxy-3-(4-pyridinyl)-5-trifluoromethyl-1-(3,4-dimethylphenoxyacetyl)-
CID 618563
2-Pyrazoline, 5-hydroxy-5-trifluoromethyl-3-(3-pyridinyl)-1-(3,4-dimethylphenoxyacetyl)-
CID 618564
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
N'-[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]-2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 6900062
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one
CID 24996966
2-(3,4-dimethylphenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6881488

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (CID 5404365) is 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C\c2cccn2C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is VGOWESQLIJCUDT-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-4-8-15(13(12)2)21-11-16(20)18-17-10-14-7-5-9-19(14)3/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5404365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).