[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

C22H26N2O5 — CID 42964669

IUPAC[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)16-9-11-17(12-10-16)24-20(26)15-29-21(27)13-23-19(25)14-28-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXBYGASAWYNBXOF-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.66
Rot. Bonds8

About [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 42964669) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID42964669
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCC(C)(C)c1ccc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C22H26N2O5/c1-22(2,3)16-9-11-17(12-10-16)24-20(26)15-29-21(27)13-23-19(25)14-28-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXBYGASAWYNBXOF-UHFFFAOYSA-N
XLogP2.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4655498
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 17093306

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 42964669) is [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is CC(C)(C)c1ccc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is XBYGASAWYNBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-22(2,3)16-9-11-17(12-10-16)24-20(26)15-29-21(27)13-23-19(25)14-28-18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 398.46 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylanilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 42964669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).