(2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol

C27H32N2O5 — CID 44603330

About (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol

(2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol (PubChem CID 44603330) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
• PubChem CID: 44603330
• Molecular Formula: C27H32N2O5
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.23
• IUPAC Name: (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol
• SMILES: COc1ccc(N(Cc2cccnc2)c2ccc(OC[C@H](O)CO)cc2)cc1OC1CCCC1
• InChI: InChI=1S/C27H32N2O5/c1-32-26-13-10-22(15-27(26)34-25-6-2-3-7-25)29(17-20-5-4-14-28-16-20)21-8-11-24(12-9-21)33-19-23(31)18-30/h4-5,8-16,23,25,30-31H,2-3,6-7,17-19H2,1H3/t23-/m1/s1
• InChIKey: GRXWJMYIHLRHCC-HSZRJFAPSA-N
• XLogP: 4.48
• TPSA: 84.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol?

The IUPAC name of (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol (CID 44603330) is (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol.

What is the SMILES notation for (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol?

The canonical SMILES for (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol is COc1ccc(N(Cc2cccnc2)c2ccc(OC[C@H](O)CO)cc2)cc1OC1CCCC1.

What is the InChIKey of (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol?

The InChIKey is GRXWJMYIHLRHCC-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-32-26-13-10-22(15-27(26)34-25-6-2-3-7-25)29(17-20-5-4-14-28-16-20)21-8-11-24(12-9-21)33-19-23(31)18-30/h4-5,8-16,23,25,30-31H,2-3,6-7,17-19H2,1H3/t23-/m1/s1.

What are the key properties of (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol?

(2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol has a molecular weight of 464.56 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[4-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenoxy]propane-1,2-diol is sourced from PubChem (CID 44603330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).