(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one

C29H29NO3 — CID 41339128

About (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one

(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one (PubChem CID 41339128) has the molecular formula C29H29NO3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one.

Molecular Properties

• Compound Name: (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
• PubChem CID: 41339128
• Molecular Formula: C29H29NO3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.21
• IUPAC Name: (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one
• SMILES: O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C29H29NO3/c31-27(24-17-16-22-12-4-5-13-23(22)19-24)20-29(33)25-14-6-7-15-26(25)30(28(29)32)18-8-11-21-9-2-1-3-10-21/h1-3,6-7,9-10,14-17,19,33H,4-5,8,11-13,18,20H2/t29-/m1/s1
• InChIKey: GXTRESROKNMPNM-GDLZYMKVSA-N
• XLogP: 5.01
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one?

The IUPAC name of (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one (CID 41339128) is (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one.

What is the SMILES notation for (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one?

The canonical SMILES for (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2.

What is the InChIKey of (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one?

The InChIKey is GXTRESROKNMPNM-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H29NO3/c31-27(24-17-16-22-12-4-5-13-23(22)19-24)20-29(33)25-14-6-7-15-26(25)30(28(29)32)18-8-11-21-9-2-1-3-10-21/h1-3,6-7,9-10,14-17,19,33H,4-5,8,11-13,18,20H2/t29-/m1/s1.

What are the key properties of (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one?

(3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one has a molecular weight of 439.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-(3-phenylpropyl)indol-2-one is sourced from PubChem (CID 41339128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).