N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide

C22H25NO4 — CID 133266810

About N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide

N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide (PubChem CID 133266810) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide
• PubChem CID: 133266810
• Molecular Formula: C22H25NO4
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.18
• IUPAC Name: N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide
• SMILES: COC[C@@H]1[C@H](NC(=O)c2ccc(-c3cccc(OC)c3)cc2)[C@H]2CCO[C@H]21
• InChI: InChI=1S/C22H25NO4/c1-25-13-19-20(18-10-11-27-21(18)19)23-22(24)15-8-6-14(7-9-15)16-4-3-5-17(12-16)26-2/h3-9,12,18-21H,10-11,13H2,1-2H3,(H,23,24)/t18-,19-,20-,21-/m1/s1
• InChIKey: MLLARZHPGSADMY-XRXFAXGQSA-N
• XLogP: 3.14
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide?

The IUPAC name of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide (CID 133266810) is N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide.

What is the SMILES notation for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide?

The canonical SMILES for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide is COC[C@@H]1[C@H](NC(=O)c2ccc(-c3cccc(OC)c3)cc2)[C@H]2CCO[C@H]21.

What is the InChIKey of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide?

The InChIKey is MLLARZHPGSADMY-XRXFAXGQSA-N. The full InChI is InChI=1S/C22H25NO4/c1-25-13-19-20(18-10-11-27-21(18)19)23-22(24)15-8-6-14(7-9-15)16-4-3-5-17(12-16)26-2/h3-9,12,18-21H,10-11,13H2,1-2H3,(H,23,24)/t18-,19-,20-,21-/m1/s1.

What are the key properties of N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide?

N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 133266810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).