N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide

C34H36N2O6 — CID 20978713

About N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide

N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 20978713) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
• PubChem CID: 20978713
• Molecular Formula: C34H36N2O6
• Molecular Weight: 568.67 g/mol
• Exact Mass: 568.26
• IUPAC Name: N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
• SMILES: O=C(Cc1cccc(O)c1)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)Cc1cccc(O)c1
• InChI: InChI=1S/C34H36N2O6/c37-27-15-7-13-25(17-27)21-31(39)35-29(19-23-9-3-1-4-10-23)33(41)34(42)30(20-24-11-5-2-6-12-24)36-32(40)22-26-14-8-16-28(38)18-26/h1-18,29-30,33-34,37-38,41-42H,19-22H2,(H,35,39)(H,36,40)
• InChIKey: OWCHFEZOQSBKIZ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 139.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide?

The IUPAC name of N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide (CID 20978713) is N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide.

What is the SMILES notation for N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide?

The canonical SMILES for N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC(Cc1ccccc1)C(O)C(O)C(Cc1ccccc1)NC(=O)Cc1cccc(O)c1.

What is the InChIKey of N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide?

The InChIKey is OWCHFEZOQSBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O6/c37-27-15-7-13-25(17-27)21-31(39)35-29(19-23-9-3-1-4-10-23)33(41)34(42)30(20-24-11-5-2-6-12-24)36-32(40)22-26-14-8-16-28(38)18-26/h1-18,29-30,33-34,37-38,41-42H,19-22H2,(H,35,39)(H,36,40).

What are the key properties of N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide?

N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 568.67 g/mol, XLogP of 3.06, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 20978713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).