[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate

C20H24N2O5 — CID 87787282

IUPAC[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate
SMILESCc1ccnc(OC(C)(C)C(=O)OC(=O)C(C)(C)Oc2cc(C)ccn2)c1
InChIInChI=1S/C20H24N2O5/c1-13-7-9-21-15(11-13)26-19(3,4)17(23)25-18(24)20(5,6)27-16-12-14(2)8-10-22-16/h7-12H,1-6H3
InChIKeyQFXOILDEUMGWQI-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.18
Rot. Bonds6

About [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate

[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate (PubChem CID 87787282) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Name[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate
PubChem CID87787282
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate
SMILESCc1ccnc(OC(C)(C)C(=O)OC(=O)C(C)(C)Oc2cc(C)ccn2)c1
InChIInChI=1S/C20H24N2O5/c1-13-7-9-21-15(11-13)26-19(3,4)17(23)25-18(24)20(5,6)27-16-12-14(2)8-10-22-16/h7-12H,1-6H3
InChIKeyQFXOILDEUMGWQI-UHFFFAOYSA-N
XLogP3.18
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate with MolForge

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Launch Full Analysis

Related Compounds

Fluazifop-butyl
CID 50897
Fluazifop-p-butyl
CID 3033674
2-(Pyridin-2-yloxy)propanoic acid
CID 20311069
Fluazifop-methyl
CID 155294
Ethyl 4-(2-phenoxyethyl)-1-(4-pyridinylmethyl)-4-piperidinecarboxylate
CID 16187442
N'-[(2-phenoxyacetyl)oxy]pyridine-4-carboximidamide
CID 6285070
Pyridin-2-yl 2,2-dimethylpropanoate
CID 13140422
Fluazifop-ethyl
CID 12877618
(-)-Fluazifop-butyl
CID 157495
Methyl 2-((5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)acetate
CID 58005626
6-(2-Methoxy-2-oxoethoxy)pyridine-3-boronic acid
CID 58006025
4-(4-Fluoro-2-methylphenoxy)-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 70780591

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate?
The IUPAC name of [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate (CID 87787282) is [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate?
The canonical SMILES for [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate is Cc1ccnc(OC(C)(C)C(=O)OC(=O)C(C)(C)Oc2cc(C)ccn2)c1.
What is the InChIKey of [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate?
The InChIKey is QFXOILDEUMGWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-7-9-21-15(11-13)26-19(3,4)17(23)25-18(24)20(5,6)27-16-12-14(2)8-10-22-16/h7-12H,1-6H3.
What are the key properties of [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate?
[2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate has a molecular weight of 372.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoyl] 2-methyl-2-[(4-methyl-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 87787282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).