(2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide

C33H33NO3 — CID 10278160

About (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide

(2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide (PubChem CID 10278160) has the molecular formula C33H33NO3 and a molecular weight of 491.63 g/mol. Its IUPAC name is (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide.

Molecular Properties

• Compound Name: (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide
• PubChem CID: 10278160
• Molecular Formula: C33H33NO3
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.25
• IUPAC Name: (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide
• SMILES: O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@@H](O)Cc1ccccc1-c1ccccc1
• InChI: InChI=1S/C33H33NO3/c35-28(20-25-15-7-9-17-29(25)24-13-5-2-6-14-24)21-27(19-23-11-3-1-4-12-23)33(37)34-32-30-18-10-8-16-26(30)22-31(32)36/h1-18,27-28,31-32,35-36H,19-22H2,(H,34,37)/t27-,28+,31-,32+/m1/s1
• InChIKey: FOGXLDDLZDFWOU-PYFKZVGHSA-N
• XLogP: 5.28
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide?

The IUPAC name of (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide (CID 10278160) is (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide.

What is the SMILES notation for (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide?

The canonical SMILES for (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@@H](O)Cc1ccccc1-c1ccccc1.

What is the InChIKey of (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide?

The InChIKey is FOGXLDDLZDFWOU-PYFKZVGHSA-N. The full InChI is InChI=1S/C33H33NO3/c35-28(20-25-15-7-9-17-29(25)24-13-5-2-6-14-24)21-27(19-23-11-3-1-4-12-23)33(37)34-32-30-18-10-8-16-26(30)22-31(32)36/h1-18,27-28,31-32,35-36H,19-22H2,(H,34,37)/t27-,28+,31-,32+/m1/s1.

What are the key properties of (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide?

(2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide has a molecular weight of 491.63 g/mol, XLogP of 5.28, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-phenylphenyl)pentanamide is sourced from PubChem (CID 10278160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).