4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide

C28H42N4O3 — CID 10277646

About 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide

4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide (PubChem CID 10277646) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
• PubChem CID: 10277646
• Molecular Formula: C28H42N4O3
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.33
• IUPAC Name: 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C28H42N4O3/c1-20(2)32(21(3)4)16-17-35-27-19-24(9-11-26(27)34-7)29-28(33)31-14-12-30(13-15-31)25-10-8-22(5)18-23(25)6/h8-11,18-21H,12-17H2,1-7H3,(H,29,33)
• InChIKey: WWWKRAKCZMEIDD-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 57.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?

The IUPAC name of 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide (CID 10277646) is 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?

The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OCCN(C(C)C)C(C)C.

What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?

The InChIKey is WWWKRAKCZMEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-20(2)32(21(3)4)16-17-35-27-19-24(9-11-26(27)34-7)29-28(33)31-14-12-30(13-15-31)25-10-8-22(5)18-23(25)6/h8-11,18-21H,12-17H2,1-7H3,(H,29,33).

What are the key properties of 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide?

4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethylphenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10277646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).