6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide

C29H34N2O3 — CID 67906530

About 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 67906530) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide
• PubChem CID: 67906530
• Molecular Formula: C29H34N2O3
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.26
• IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N(CCc1ccccc1)CCc1ccccn1)O2
• InChI: InChI=1S/C29H34N2O3/c1-20-21(2)27-25(22(3)26(20)32)13-16-29(4,34-27)28(33)31(18-14-23-10-6-5-7-11-23)19-15-24-12-8-9-17-30-24/h5-12,17,32H,13-16,18-19H2,1-4H3
• InChIKey: QTHGRTHCYBXSMI-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide?

The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide (CID 67906530) is 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide.

What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide?

The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N(CCc1ccccc1)CCc1ccccn1)O2.

What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide?

The InChIKey is QTHGRTHCYBXSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-20-21(2)27-25(22(3)26(20)32)13-16-29(4,34-27)28(33)31(18-14-23-10-6-5-7-11-23)19-15-24-12-8-9-17-30-24/h5-12,17,32H,13-16,18-19H2,1-4H3.

What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide?

6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 67906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).