N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C30H37N3O5 — CID 142246216

About N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 142246216) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
• PubChem CID: 142246216
• Molecular Formula: C30H37N3O5
• Molecular Weight: 519.64 g/mol
• Exact Mass: 519.27
• IUPAC Name: N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
• SMILES: C[C@H](CC(O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCOC2=O)c1)C(=O)NC1CC2CCC1C2
• InChI: InChI=1S/C30H37N3O5/c1-19(28(35)31-25-17-21-10-11-22(25)15-21)14-27(34)26(16-20-6-3-2-4-7-20)32-29(36)23-8-5-9-24(18-23)33-12-13-38-30(33)37/h2-9,18-19,21-22,25-27,34H,10-17H2,1H3,(H,31,35)(H,32,36)/t19-,21?,22?,25?,26+,27?/m1/s1
• InChIKey: KXFZLSCTRSXDET-SQZYGUHOSA-N
• XLogP: 3.68
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.64
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?

The IUPAC name of N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 142246216) is N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

What is the SMILES notation for N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?

The canonical SMILES for N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is C[C@H](CC(O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCOC2=O)c1)C(=O)NC1CC2CCC1C2.

What is the InChIKey of N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?

The InChIKey is KXFZLSCTRSXDET-SQZYGUHOSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-19(28(35)31-25-17-21-10-11-22(25)15-21)14-27(34)26(16-20-6-3-2-4-7-20)32-29(36)23-8-5-9-24(18-23)33-12-13-38-30(33)37/h2-9,18-19,21-22,25-27,34H,10-17H2,1H3,(H,31,35)(H,32,36)/t19-,21?,22?,25?,26+,27?/m1/s1.

What are the key properties of N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?

N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 519.64 g/mol, XLogP of 3.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5R)-6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 142246216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).