[(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate

C37H53N5O7 — CID 143634809

About [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate

[(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate (PubChem CID 143634809) has the molecular formula C37H53N5O7 and a molecular weight of 679.86 g/mol. Its IUPAC name is [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate.

Molecular Properties

• Compound Name: [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate
• PubChem CID: 143634809
• Molecular Formula: C37H53N5O7
• Molecular Weight: 679.86 g/mol
• Exact Mass: 679.39
• IUPAC Name: [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate
• SMILES: CNC(=O)OC(C)C1[C@H](CO)ON(Cc2cccc(-c3cc(C(=O)NC)cc(N(C)C)c3)c2OC)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C
• InChI: InChI=1S/C37H53N5O7/c1-20-28-16-25(37(28,3)4)17-29(20)40-35(45)32-31(21(2)48-36(46)39-6)30(19-43)49-42(32)18-22-11-10-12-27(33(22)47-9)23-13-24(34(44)38-5)15-26(14-23)41(7)8/h10-15,20-21,25,28-32,43H,16-19H2,1-9H3,(H,38,44)(H,39,46)(H,40,45)/t20-,21?,25+,28-,29-,30-,31?,32-/m0/s1
• InChIKey: BSAZQKWGZPCNRB-UTTISSQXSA-N
• XLogP: 3.81
• TPSA: 141.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.86
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate?

The IUPAC name of [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate (CID 143634809) is [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate.

What is the SMILES notation for [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate?

The canonical SMILES for [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate is CNC(=O)OC(C)C1[C@H](CO)ON(Cc2cccc(-c3cc(C(=O)NC)cc(N(C)C)c3)c2OC)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.

What is the InChIKey of [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate?

The InChIKey is BSAZQKWGZPCNRB-UTTISSQXSA-N. The full InChI is InChI=1S/C37H53N5O7/c1-20-28-16-25(37(28,3)4)17-29(20)40-35(45)32-31(21(2)48-36(46)39-6)30(19-43)49-42(32)18-22-11-10-12-27(33(22)47-9)23-13-24(34(44)38-5)15-26(14-23)41(7)8/h10-15,20-21,25,28-32,43H,16-19H2,1-9H3,(H,38,44)(H,39,46)(H,40,45)/t20-,21?,25+,28-,29-,30-,31?,32-/m0/s1.

What are the key properties of [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate?

[(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate has a molecular weight of 679.86 g/mol, XLogP of 3.81, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[(3S,5R)-2-[[3-[3-(dimethylamino)-5-(methylcarbamoyl)phenyl]-2-methoxyphenyl]methyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-4-yl]ethyl] N-methylcarbamate is sourced from PubChem (CID 143634809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).