2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide

C28H42N4O4 — CID 75459806

About 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide

2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide (PubChem CID 75459806) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
• PubChem CID: 75459806
• Molecular Formula: C28H42N4O4
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.32
• IUPAC Name: 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
• SMILES: COc1ccc(C(NCC(=O)NCCNC(=O)CNC(c2ccc(OC)cc2)C(C)C)C(C)C)cc1
• InChI: InChI=1S/C28H42N4O4/c1-19(2)27(21-7-11-23(35-5)12-8-21)31-17-25(33)29-15-16-30-26(34)18-32-28(20(3)4)22-9-13-24(36-6)14-10-22/h7-14,19-20,27-28,31-32H,15-18H2,1-6H3,(H,29,33)(H,30,34)
• InChIKey: MXDZFCKKFLSGSU-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 100.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?

The IUPAC name of 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide (CID 75459806) is 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide.

What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?

The canonical SMILES for 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide is COc1ccc(C(NCC(=O)NCCNC(=O)CNC(c2ccc(OC)cc2)C(C)C)C(C)C)cc1.

What is the InChIKey of 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?

The InChIKey is MXDZFCKKFLSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-19(2)27(21-7-11-23(35-5)12-8-21)31-17-25(33)29-15-16-30-26(34)18-32-28(20(3)4)22-9-13-24(36-6)14-10-22/h7-14,19-20,27-28,31-32H,15-18H2,1-6H3,(H,29,33)(H,30,34).

What are the key properties of 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide?

2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide has a molecular weight of 498.67 g/mol, XLogP of 3.21, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 75459806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).