N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C24H31N3O — CID 109030036

About N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 109030036) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
• PubChem CID: 109030036
• Molecular Formula: C24H31N3O
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.25
• IUPAC Name: N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
• SMILES: Cc1cccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1C
• InChI: InChI=1S/C24H31N3O/c1-20-8-6-12-23(21(20)2)25-24(28)13-15-27-18-16-26(17-19-27)14-7-11-22-9-4-3-5-10-22/h3-12H,13-19H2,1-2H3,(H,25,28)/b11-7+
• InChIKey: HYNNWYDEXZCFGR-YRNVUSSQSA-N
• XLogP: 3.96
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The IUPAC name of N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 109030036) is N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is Cc1cccc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

The InChIKey is HYNNWYDEXZCFGR-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20-8-6-12-23(21(20)2)25-24(28)13-15-27-18-16-26(17-19-27)14-7-11-22-9-4-3-5-10-22/h3-12H,13-19H2,1-2H3,(H,25,28)/b11-7+.

What are the key properties of N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?

N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 377.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 109030036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).