N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide

C26H29NO6 — CID 21047975

About N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide

N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide (PubChem CID 21047975) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide
• PubChem CID: 21047975
• Molecular Formula: C26H29NO6
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide
• SMILES: COc1cc(O)cc(OC)c1NC(=O)c1ccc(Cc2c(C)ccc3c2OCCC3(C)C)o1
• InChI: InChI=1S/C26H29NO6/c1-15-6-8-19-24(32-11-10-26(19,2)3)18(15)14-17-7-9-20(33-17)25(29)27-23-21(30-4)12-16(28)13-22(23)31-5/h6-9,12-13,28H,10-11,14H2,1-5H3,(H,27,29)
• InChIKey: MDTXEOBUXOHKOK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 90.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide (CID 21047975) is N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide is COc1cc(O)cc(OC)c1NC(=O)c1ccc(Cc2c(C)ccc3c2OCCC3(C)C)o1.

What is the InChIKey of N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide?

The InChIKey is MDTXEOBUXOHKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-15-6-8-19-24(32-11-10-26(19,2)3)18(15)14-17-7-9-20(33-17)25(29)27-23-21(30-4)12-16(28)13-22(23)31-5/h6-9,12-13,28H,10-11,14H2,1-5H3,(H,27,29).

What are the key properties of N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide?

N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxy-2,6-dimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydrochromen-8-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).