N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

C31H38N2O3 — CID 21048047

About N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide

N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (PubChem CID 21048047) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
• PubChem CID: 21048047
• Molecular Formula: C31H38N2O3
• Molecular Weight: 486.66 g/mol
• Exact Mass: 486.29
• IUPAC Name: N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
• SMILES: Cc1cc2c(cc1Cc1ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C31H38N2O3/c1-21-18-26-27(31(4,5)13-12-30(26,2)3)20-22(21)19-25-10-11-28(36-25)29(34)32-23-6-8-24(9-7-23)33-14-16-35-17-15-33/h6-11,18,20H,12-17,19H2,1-5H3,(H,32,34)
• InChIKey: QYVKMMXGJGZWKR-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.66
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide (CID 21048047) is N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is Cc1cc2c(cc1Cc1ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o1)C(C)(C)CCC2(C)C.

What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

The InChIKey is QYVKMMXGJGZWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-21-18-26-27(31(4,5)13-12-30(26,2)3)20-22(21)19-25-10-11-28(36-25)29(34)32-23-6-8-24(9-7-23)33-14-16-35-17-15-33/h6-11,18,20H,12-17,19H2,1-5H3,(H,32,34).

What are the key properties of N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide?

N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-morpholin-4-ylphenyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).