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

C19H21NO4 — CID 2454191

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)20-17(21)13-23-18(22)15-11-7-8-12-16(15)24-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyIWDJLBNYBVTOOZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.55
Rot. Bonds5

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

[2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2454191) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2454191
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)20-17(21)13-23-18(22)15-11-7-8-12-16(15)24-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyIWDJLBNYBVTOOZ-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Carbamoylmethoxy)benzoic acid
CID 967324
Methyl 4-[(tert-butylcarbamoyl)methoxy]benzoate
CID 2495631
(2-Amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 2391541
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 4086904
[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 5106311
[2-(2-Methoxyphenyl)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 16287058
2-[(Dimethylcarbamoyl)methoxy]benzoic acid
CID 4962590
Methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
CID 891719

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate (CID 2454191) is [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate is CC(C)(C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is IWDJLBNYBVTOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)20-17(21)13-23-18(22)15-11-7-8-12-16(15)24-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 327.38 g/mol, XLogP of 3.55, 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-phenoxybenzoate is sourced from PubChem (CID 2454191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).