ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate

C20H32N2O4 — CID 176893719

IUPACethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
SMILESCCCC(C)COc1ccc(C(NC(=O)C(C)(C)C)C(=O)OCC)nc1
InChIInChI=1S/C20H32N2O4/c1-7-9-14(3)13-26-15-10-11-16(21-12-15)17(18(23)25-8-2)22-19(24)20(4,5)6/h10-12,14,17H,7-9,13H2,1-6H3,(H,22,24)
InChIKeyMQFMTSCMZBECNJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds9

About ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate

ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate (PubChem CID 176893719) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
PubChem CID176893719
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Nameethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
SMILESCCCC(C)COc1ccc(C(NC(=O)C(C)(C)C)C(=O)OCC)nc1
InChIInChI=1S/C20H32N2O4/c1-7-9-14(3)13-26-15-10-11-16(21-12-15)17(18(23)25-8-2)22-19(24)20(4,5)6/h10-12,14,17H,7-9,13H2,1-6H3,(H,22,24)
InChIKeyMQFMTSCMZBECNJ-UHFFFAOYSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate (CID 176893719) is ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate is CCCC(C)COc1ccc(C(NC(=O)C(C)(C)C)C(=O)OCC)nc1.
What is the InChIKey of ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
The InChIKey is MQFMTSCMZBECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-7-9-14(3)13-26-15-10-11-16(21-12-15)17(18(23)25-8-2)22-19(24)20(4,5)6/h10-12,14,17H,7-9,13H2,1-6H3,(H,22,24).
What are the key properties of ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate?
ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate has a molecular weight of 364.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropanoylamino)-2-[5-(2-methylpentoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 176893719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).