2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C27H32N4O — CID 163231750

About 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231750) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 163231750
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• SMILES: C=C(Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1)C1CN(C)CCN1
• InChI: InChI=1S/C27H32N4O/c1-18-12-13-22(29-20(3)26-17-31(4)15-14-28-26)16-25(18)27(32)30-19(2)23-11-7-9-21-8-5-6-10-24(21)23/h5-13,16,19,26,28-29H,3,14-15,17H2,1-2,4H3,(H,30,32)/t19-,26?/m1/s1
• InChIKey: SVUONNLSXHFBMS-ICCFGIFFSA-N
• XLogP: 4.47
• TPSA: 56.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231750) is 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is C=C(Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1)C1CN(C)CCN1.

What is the InChIKey of 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is SVUONNLSXHFBMS-ICCFGIFFSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-12-13-22(29-20(3)26-17-31(4)15-14-28-26)16-25(18)27(32)30-19(2)23-11-7-9-21-8-5-6-10-24(21)23/h5-13,16,19,26,28-29H,3,14-15,17H2,1-2,4H3,(H,30,32)/t19-,26?/m1/s1.

What are the key properties of 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).