[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate

C15H21NO3 — CID 7489138

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11-7-5-6-8-12(11)9-14(18)19-10-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyFXBXONMBOAMVDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.00
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 7489138) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID7489138
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO3/c1-11-7-5-6-8-12(11)9-14(18)19-10-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyFXBXONMBOAMVDB-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 2540902
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 7489138) is [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is FXBXONMBOAMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-7-5-6-8-12(11)9-14(18)19-10-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 7489138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).