[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate

C22H27NO5 — CID 9329071

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)16-5-9-19(10-6-16)27-14-13-21(25)28-15-20(24)23-17-7-11-18(26-4)12-8-17/h5-12H,13-15H2,1-4H3,(H,23,24)
InChIKeyBALUMHASPGUITG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.94
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate

[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate (PubChem CID 9329071) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
PubChem CID9329071
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
SMILESCOc1ccc(NC(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)16-5-9-19(10-6-16)27-14-13-21(25)28-15-20(24)23-17-7-11-18(26-4)12-8-17/h5-12H,13-15H2,1-4H3,(H,23,24)
InChIKeyBALUMHASPGUITG-UHFFFAOYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856014
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9328974
dimethyl 5-[[2-[3-(4-methoxyphenoxy)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55316570
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16534909
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate (CID 9329071) is [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate is COc1ccc(NC(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
The InChIKey is BALUMHASPGUITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2,3)16-5-9-19(10-6-16)27-14-13-21(25)28-15-20(24)23-17-7-11-18(26-4)12-8-17/h5-12H,13-15H2,1-4H3,(H,23,24).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate has a molecular weight of 385.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 9329071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).