[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate

C15H21NO4 — CID 2404850

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-5-19-12-9-7-6-8-11(12)14(18)20-10-13(17)16-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyVAUVSYJUKVPBBW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate

[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 2404850) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID2404850
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-5-19-12-9-7-6-8-11(12)14(18)20-10-13(17)16-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyVAUVSYJUKVPBBW-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595737
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197604
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197591
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(3-acetylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8607199

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate (CID 2404850) is [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is VAUVSYJUKVPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-19-12-9-7-6-8-11(12)14(18)20-10-13(17)16-15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 2404850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).