actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide

C13H14AcNO4- — CID 20708391

IUPACactinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
SMILESCOC(=O)COc1cccc2c(C[NH-])c(C)oc12.[Ac]
InChIInChI=1S/C13H14NO4.Ac/c1-8-10(6-14)9-4-3-5-11(13(9)18-8)17-7-12(15)16-2;/h3-5,14H,6-7H2,1-2H3;/q-1;
InChIKeyFEIRVNGERNVKIY-UHFFFAOYSA-N
MW475.26 g/mol
LogP2.85
Rot. Bonds4

About actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide

actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide (PubChem CID 20708391) has the molecular formula C13H14AcNO4- and a molecular weight of 475.26 g/mol. Its IUPAC name is actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide.

Molecular Properties

Compound Nameactinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
PubChem CID20708391
Molecular FormulaC13H14AcNO4-
Molecular Weight475.26 g/mol
Exact Mass475.12
IUPAC Nameactinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide
SMILESCOC(=O)COc1cccc2c(C[NH-])c(C)oc12.[Ac]
InChIInChI=1S/C13H14NO4.Ac/c1-8-10(6-14)9-4-3-5-11(13(9)18-8)17-7-12(15)16-2;/h3-5,14H,6-7H2,1-2H3;/q-1;
InChIKeyFEIRVNGERNVKIY-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

actinium;[7-(2-methoxy-2-oxoethoxy)-2-propan-2-yl-1-benzofuran-3-yl]methylazanide
CID 20708348
methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 20708432
2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[3-(methanesulfonamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91562799
3-(2-hydroxyethyl)-2-methyl-1-benzofuran-7-ol;methyl 2-[[3-(2-azidoethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetate
CID 91305588
methyl 2-[[3-(2-hydroxyethyl)-2-[(E)-prop-1-enyl]-1-benzofuran-7-yl]oxy]acetate
CID 11266259
methyl 2-(2-methyl-7-phosphanyloxy-1-benzofuran-3-yl)acetate
CID 20708429
2-[[3-(acetamidomethyl)-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351746
2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid;methyl 2-[[2-(hydroxymethyl)-3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetate
CID 54205343
2-[[3-[2-(benzenesulfonamido)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 18351711
2-[[3-[2-(2,2-diphenylethylsulfonylamino)ethyl]-2-methyl-1-benzofuran-7-yl]oxy]acetic acid
CID 15908545
methyl 2-[[3-[(2-phenylethylsulfonylamino)methyl]-2-propan-2-yl-1-benzofuran-7-yl]oxy]acetate
CID 15463513
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919

Frequently Asked Questions

What is the IUPAC name of actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide?
The IUPAC name of actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide (CID 20708391) is actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide.
What is the SMILES notation for actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide?
The canonical SMILES for actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide is COC(=O)COc1cccc2c(C[NH-])c(C)oc12.[Ac].
What is the InChIKey of actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide?
The InChIKey is FEIRVNGERNVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO4.Ac/c1-8-10(6-14)9-4-3-5-11(13(9)18-8)17-7-12(15)16-2;/h3-5,14H,6-7H2,1-2H3;/q-1;.
What are the key properties of actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide?
actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide has a molecular weight of 475.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[7-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-yl]methylazanide is sourced from PubChem (CID 20708391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).