6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide

C19H23NO5 — CID 133266484

IUPAC6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)c2oc3cc(OC)ccc3c2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C19H23NO5/c1-10-12-5-4-11(23-3)8-15(12)25-17(10)19(21)20-16-13-6-7-24-18(13)14(16)9-22-2/h4-5,8,13-14,16,18H,6-7,9H2,1-3H3,(H,20,21)/t13-,14+,16+,18-/m1/s1
InChIKeyGFZBDOMTHPQQQU-YQYZPQCESA-N
MW345.40 g/mol
LogP2.53
Rot. Bonds5

About 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide

6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 133266484) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID133266484
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOC[C@H]1[C@@H](NC(=O)c2oc3cc(OC)ccc3c2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C19H23NO5/c1-10-12-5-4-11(23-3)8-15(12)25-17(10)19(21)20-16-13-6-7-24-18(13)14(16)9-22-2/h4-5,8,13-14,16,18H,6-7,9H2,1-3H3,(H,20,21)/t13-,14+,16+,18-/m1/s1
InChIKeyGFZBDOMTHPQQQU-YQYZPQCESA-N
XLogP2.53
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide
CID 133266810
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
CID 70730889
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91761629
5-ethyl-N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]thiophene-2-carboxamide
CID 91759619
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 133267242
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133267885
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-oxo-1,2-oxazole-5-carboxamide
CID 133266446
4-chloro-3-fluoro-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91784239
3-cyano-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91761164
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
CID 95122255

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 133266484) is 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide is COC[C@H]1[C@@H](NC(=O)c2oc3cc(OC)ccc3c2C)[C@H]2CCO[C@H]21.
What is the InChIKey of 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GFZBDOMTHPQQQU-YQYZPQCESA-N. The full InChI is InChI=1S/C19H23NO5/c1-10-12-5-4-11(23-3)8-15(12)25-17(10)19(21)20-16-13-6-7-24-18(13)14(16)9-22-2/h4-5,8,13-14,16,18H,6-7,9H2,1-3H3,(H,20,21)/t13-,14+,16+,18-/m1/s1.
What are the key properties of 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide?
6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 133266484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).