methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate

C14H19NO4 — CID 2495631

IUPACmethyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)15-12(16)9-19-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyHQTYZDHQCFYLGH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds4

About methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate

methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate (PubChem CID 2495631) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate
PubChem CID2495631
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)15-12(16)9-19-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyHQTYZDHQCFYLGH-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate (CID 2495631) is methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate?
The InChIKey is HQTYZDHQCFYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)15-12(16)9-19-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate?
methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(tert-butylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 2495631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).