N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide

C33H35NO8 — CID 74393848

About N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide

N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 74393848) has the molecular formula C33H35NO8 and a molecular weight of 573.64 g/mol. Its IUPAC name is N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

• Compound Name: N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide
• PubChem CID: 74393848
• Molecular Formula: C33H35NO8
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.24
• IUPAC Name: N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide
• SMILES: COc1cccc(-c2cc(C(=O)Nc3ccc4cc(OC5OC(C)(C)C(OC)C(O)C5O)ccc4c3)ccc2OC)c1
• InChI: InChI=1S/C33H35NO8/c1-33(2)30(40-5)28(35)29(36)32(42-33)41-25-13-10-19-15-23(12-9-20(19)16-25)34-31(37)22-11-14-27(39-4)26(18-22)21-7-6-8-24(17-21)38-3/h6-18,28-30,32,35-36H,1-5H3,(H,34,37)
• InChIKey: DKMNQSPIRMUPDD-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 115.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide?

The IUPAC name of N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 74393848) is N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

What is the SMILES notation for N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide?

The canonical SMILES for N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc4cc(OC5OC(C)(C)C(OC)C(O)C5O)ccc4c3)ccc2OC)c1.

What is the InChIKey of N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide?

The InChIKey is DKMNQSPIRMUPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO8/c1-33(2)30(40-5)28(35)29(36)32(42-33)41-25-13-10-19-15-23(12-9-20(19)16-25)34-31(37)22-11-14-27(39-4)26(18-22)21-7-6-8-24(17-21)38-3/h6-18,28-30,32,35-36H,1-5H3,(H,34,37).

What are the key properties of N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide?

N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 573.64 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxynaphthalen-2-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 74393848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).