tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate

C19H29NO7 — CID 21465938

IUPACtert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate
SMILESCC(O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C19H29NO7/c1-12(21)13-8-14(24-10-16(22)26-18(2,3)4)15(9-20-13)25-11-17(23)27-19(5,6)7/h8-9,12,21H,10-11H2,1-7H3
InChIKeyKCDJAIUMIQNJLI-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.58
Rot. Bonds7

About tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate

tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate (PubChem CID 21465938) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate
PubChem CID21465938
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Nametert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate
SMILESCC(O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C19H29NO7/c1-12(21)13-8-14(24-10-16(22)26-18(2,3)4)15(9-20-13)25-11-17(23)27-19(5,6)7/h8-9,12,21H,10-11H2,1-7H3
InChIKeyKCDJAIUMIQNJLI-UHFFFAOYSA-N
XLogP2.58
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate?
The IUPAC name of tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate (CID 21465938) is tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate.
What is the SMILES notation for tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate?
The canonical SMILES for tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate is CC(O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate?
The InChIKey is KCDJAIUMIQNJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO7/c1-12(21)13-8-14(24-10-16(22)26-18(2,3)4)15(9-20-13)25-11-17(23)27-19(5,6)7/h8-9,12,21H,10-11H2,1-7H3.
What are the key properties of tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate?
tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate has a molecular weight of 383.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(1-hydroxyethyl)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-pyridinyl]oxy]acetate is sourced from PubChem (CID 21465938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).