N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C27H37N3O — CID 8545309

About N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 8545309) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• PubChem CID: 8545309
• Molecular Formula: C27H37N3O
• Molecular Weight: 419.61 g/mol
• Exact Mass: 419.29
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C27H37N3O/c1-21(2)24-13-8-14-25(22(3)4)27(24)28-26(31)20-30-18-16-29(17-19-30)15-9-12-23-10-6-5-7-11-23/h5-14,21-22H,15-20H2,1-4H3,(H,28,31)/b12-9+
• InChIKey: GNOMSXMBZFGNLF-FMIVXFBMSA-N
• XLogP: 5.20
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.61
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 8545309) is N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The InChIKey is GNOMSXMBZFGNLF-FMIVXFBMSA-N. The full InChI is InChI=1S/C27H37N3O/c1-21(2)24-13-8-14-25(22(3)4)27(24)28-26(31)20-30-18-16-29(17-19-30)15-9-12-23-10-6-5-7-11-23/h5-14,21-22H,15-20H2,1-4H3,(H,28,31)/b12-9+.

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 419.61 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8545309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).