N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide

C28H30N4O5 — CID 42797430

About N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide

N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide (PubChem CID 42797430) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide
• PubChem CID: 42797430
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide
• SMILES: COc1cccc(Cn2c(C(=O)N3CCN(C(=O)Nc4cccc(OC)c4)C(C)C3)cc3ccoc32)c1
• InChI: InChI=1S/C28H30N4O5/c1-19-17-30(11-12-31(19)28(34)29-22-7-5-9-24(16-22)36-3)26(33)25-15-21-10-13-37-27(21)32(25)18-20-6-4-8-23(14-20)35-2/h4-10,13-16,19H,11-12,17-18H2,1-3H3,(H,29,34)
• InChIKey: BFLXYVDYFXAGHJ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 89.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide?

The IUPAC name of N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide (CID 42797430) is N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide.

What is the SMILES notation for N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide?

The canonical SMILES for N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide is COc1cccc(Cn2c(C(=O)N3CCN(C(=O)Nc4cccc(OC)c4)C(C)C3)cc3ccoc32)c1.

What is the InChIKey of N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide?

The InChIKey is BFLXYVDYFXAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-19-17-30(11-12-31(19)28(34)29-22-7-5-9-24(16-22)36-3)26(33)25-15-21-10-13-37-27(21)32(25)18-20-6-4-8-23(14-20)35-2/h4-10,13-16,19H,11-12,17-18H2,1-3H3,(H,29,34).

What are the key properties of N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide?

N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-4-[6-[(3-methoxyphenyl)methyl]furo[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 42797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).