(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C26H35N3O — CID 8621429

About (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 8621429) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
• PubChem CID: 8621429
• Molecular Formula: C26H35N3O
• Molecular Weight: 405.59 g/mol
• Exact Mass: 405.28
• IUPAC Name: (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C26H35N3O/c1-20(2)24-14-8-10-21(3)25(24)27-26(30)22(4)29-18-16-28(17-19-29)15-9-13-23-11-6-5-7-12-23/h5-14,20,22H,15-19H2,1-4H3,(H,27,30)/b13-9+/t22-/m1/s1
• InChIKey: KMFBWWXNQXFSDG-SNMYMPMCSA-N
• XLogP: 4.78
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.59
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The IUPAC name of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 8621429) is (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

What is the SMILES notation for (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The canonical SMILES for (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The InChIKey is KMFBWWXNQXFSDG-SNMYMPMCSA-N. The full InChI is InChI=1S/C26H35N3O/c1-20(2)24-14-8-10-21(3)25(24)27-26(30)22(4)29-18-16-28(17-19-29)15-9-13-23-11-6-5-7-12-23/h5-14,20,22H,15-19H2,1-4H3,(H,27,30)/b13-9+/t22-/m1/s1.

What are the key properties of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 405.59 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 8621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).