[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C17H23NO6 — CID 8701384

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCCOC(=O)NC(=O)COC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO6/c1-5-22-16(21)18-14(19)10-24-15(20)11-23-13-9-7-6-8-12(13)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19,21)
InChIKeyYUCIYWVIOTZWPG-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.18
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8701384) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8701384
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCCOC(=O)NC(=O)COC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H23NO6/c1-5-22-16(21)18-14(19)10-24-15(20)11-23-13-9-7-6-8-12(13)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19,21)
InChIKeyYUCIYWVIOTZWPG-UHFFFAOYSA-N
XLogP2.18
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701080
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701014
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
ethyl N-[2-(2-acetylphenoxy)acetyl]carbamate
CID 7859274

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8701384) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is CCOC(=O)NC(=O)COC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is YUCIYWVIOTZWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-5-22-16(21)18-14(19)10-24-15(20)11-23-13-9-7-6-8-12(13)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19,21).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 337.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8701384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).