[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate

C26H25NO6 — CID 46793927

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H25NO6/c28-25(27-23-10-4-5-11-24(23)33-21-7-2-1-3-8-21)18-32-26(29)19-12-14-20(15-13-19)31-17-22-9-6-16-30-22/h1-5,7-8,10-15,22H,6,9,16-18H2,(H,27,28)
InChIKeyWZMHVDRMJYOUMK-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.83
Rot. Bonds9

About [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate

[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate (PubChem CID 46793927) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate
PubChem CID46793927
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate
SMILESO=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H25NO6/c28-25(27-23-10-4-5-11-24(23)33-21-7-2-1-3-8-21)18-32-26(29)19-12-14-20(15-13-19)31-17-22-9-6-16-30-22/h1-5,7-8,10-15,22H,6,9,16-18H2,(H,27,28)
InChIKeyWZMHVDRMJYOUMK-UHFFFAOYSA-N
XLogP4.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate with MolForge

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793982
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2559601
[2-(cyclopentylamino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4540325
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17170147
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2113657
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8653258
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate (CID 46793927) is [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate is O=C(COC(=O)c1ccc(OCC2CCCO2)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate?
The InChIKey is WZMHVDRMJYOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c28-25(27-23-10-4-5-11-24(23)33-21-7-2-1-3-8-21)18-32-26(29)19-12-14-20(15-13-19)31-17-22-9-6-16-30-22/h1-5,7-8,10-15,22H,6,9,16-18H2,(H,27,28).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate has a molecular weight of 447.49 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate is sourced from PubChem (CID 46793927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).