N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C27H27NO3 — CID 21048235

About N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21048235) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
• PubChem CID: 21048235
• Molecular Formula: C27H27NO3
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.20
• IUPAC Name: N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
• SMILES: Cc1c(C)c(C)c(Cc2ccc(C(=O)Nc3cccc4ccc(O)cc34)o2)c(C)c1C
• InChI: InChI=1S/C27H27NO3/c1-15-16(2)18(4)23(19(5)17(15)3)14-22-11-12-26(31-22)27(30)28-25-8-6-7-20-9-10-21(29)13-24(20)25/h6-13,29H,14H2,1-5H3,(H,28,30)
• InChIKey: FMGYKMHTVGKUBB-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 62.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21048235) is N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is Cc1c(C)c(C)c(Cc2ccc(C(=O)Nc3cccc4ccc(O)cc34)o2)c(C)c1C.

What is the InChIKey of N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

The InChIKey is FMGYKMHTVGKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-15-16(2)18(4)23(19(5)17(15)3)14-22-11-12-26(31-22)27(30)28-25-8-6-7-20-9-10-21(29)13-24(20)25/h6-13,29H,14H2,1-5H3,(H,28,30).

What are the key properties of N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?

N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).