oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

C21H23NO6 — CID 24518286

IUPACoxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H23NO6/c1-25-18-5-2-4-16(12-18)22-20(23)14-27-17-9-7-15(8-10-17)21(24)28-13-19-6-3-11-26-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyHEYCNUBPHUMGGV-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.05
Rot. Bonds8

About oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 24518286) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID24518286
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Nameoxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)OCC3CCCO3)cc2)c1
InChIInChI=1S/C21H23NO6/c1-25-18-5-2-4-16(12-18)22-20(23)14-27-17-9-7-15(8-10-17)21(24)28-13-19-6-3-11-26-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyHEYCNUBPHUMGGV-UHFFFAOYSA-N
XLogP3.05
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 18075850
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319011
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (CID 24518286) is oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is COc1cccc(NC(=O)COc2ccc(C(=O)OCC3CCCO3)cc2)c1.
What is the InChIKey of oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is HEYCNUBPHUMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-25-18-5-2-4-16(12-18)22-20(23)14-27-17-9-7-15(8-10-17)21(24)28-13-19-6-3-11-26-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,23).
What are the key properties of oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 385.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 24518286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).