N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C19H25N3O4 — CID 91793051

IUPACN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)COCc2nc3ccc(C)cc3[nH]2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H25N3O4/c1-11-3-4-14-15(7-11)21-16(20-14)9-25-10-17(23)22-18-12-5-6-26-19(12)13(18)8-24-2/h3-4,7,12-13,18-19H,5-6,8-10H2,1-2H3,(H,20,21)(H,22,23)/t12-,13-,18-,19-/m0/s1
InChIKeyUPRAQONHZXGOLV-OYUDYFSCSA-N
MW359.43 g/mol
LogP1.55
Rot. Bonds7

About N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91793051) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91793051
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)COCc2nc3ccc(C)cc3[nH]2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H25N3O4/c1-11-3-4-14-15(7-11)21-16(20-14)9-25-10-17(23)22-18-12-5-6-26-19(12)13(18)8-24-2/h3-4,7,12-13,18-19H,5-6,8-10H2,1-2H3,(H,20,21)(H,22,23)/t12-,13-,18-,19-/m0/s1
InChIKeyUPRAQONHZXGOLV-OYUDYFSCSA-N
XLogP1.55
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91793051) is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is COC[C@H]1[C@@H](NC(=O)COCc2nc3ccc(C)cc3[nH]2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is UPRAQONHZXGOLV-OYUDYFSCSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11-3-4-14-15(7-11)21-16(20-14)9-25-10-17(23)22-18-12-5-6-26-19(12)13(18)8-24-2/h3-4,7,12-13,18-19H,5-6,8-10H2,1-2H3,(H,20,21)(H,22,23)/t12-,13-,18-,19-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91793051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).