3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

C24H35NO3 — CID 8852022

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 8852022) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• PubChem CID: 8852022
• Molecular Formula: C24H35NO3
• Molecular Weight: 385.55 g/mol
• Exact Mass: 385.26
• IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
• SMILES: Cc1ccc(CN(C)C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1
• InChI: InChI=1S/C24H35NO3/c1-16-9-11-18(28-16)15-25(8)21(26)12-10-17-13-19(23(2,3)4)22(27)20(14-17)24(5,6)7/h9,11,13-14,27H,10,12,15H2,1-8H3
• InChIKey: IIYRAWSETJSNLM-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 53.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.55
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 8852022) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C)C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1.

What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

The InChIKey is IIYRAWSETJSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-16-9-11-18(28-16)15-25(8)21(26)12-10-17-13-19(23(2,3)4)22(27)20(14-17)24(5,6)7/h9,11,13-14,27H,10,12,15H2,1-8H3.

What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 385.55 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 8852022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).