methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate

C24H21NO6 — CID 7695279

IUPACmethyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C24H21NO6/c1-28-22-12-18-17-5-3-4-6-20(17)31-21(18)13-19(22)25-23(26)14-30-16-9-7-15(8-10-16)11-24(27)29-2/h3-10,12-13H,11,14H2,1-2H3,(H,25,26)
InChIKeyMYCUJUBYPKNAJO-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.33
Rot. Bonds7

About methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate (PubChem CID 7695279) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
PubChem CID7695279
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Namemethyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C24H21NO6/c1-28-22-12-18-17-5-3-4-6-20(17)31-21(18)13-19(22)25-23(26)14-30-16-9-7-15(8-10-16)11-24(27)29-2/h3-10,12-13H,11,14H2,1-2H3,(H,25,26)
InChIKeyMYCUJUBYPKNAJO-UHFFFAOYSA-N
XLogP4.33
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate with MolForge

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 4022781
3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
CID 4052541
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7705710
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2092479

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate (CID 7695279) is methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate?
The InChIKey is MYCUJUBYPKNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-28-22-12-18-17-5-3-4-6-20(17)31-21(18)13-19(22)25-23(26)14-30-16-9-7-15(8-10-16)11-24(27)29-2/h3-10,12-13H,11,14H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate has a molecular weight of 419.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).