(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

C26H35N3O3 — CID 95806174

About (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide

(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 95806174) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
• PubChem CID: 95806174
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
• SMILES: COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCN(C)CC3)CCCO2)c1
• InChI: InChI=1S/C26H35N3O3/c1-28-14-16-29(17-15-28)13-12-27-25(30)26(11-6-18-32-26)20-21-7-5-8-22(19-21)23-9-3-4-10-24(23)31-2/h3-5,7-10,19H,6,11-18,20H2,1-2H3,(H,27,30)/t26-/m0/s1
• InChIKey: ZBLWOTIVFGQZSH-SANMLTNESA-N
• XLogP: 2.82
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?

The IUPAC name of (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide (CID 95806174) is (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide.

What is the SMILES notation for (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?

The canonical SMILES for (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCN(C)CC3)CCCO2)c1.

What is the InChIKey of (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?

The InChIKey is ZBLWOTIVFGQZSH-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N3O3/c1-28-14-16-29(17-15-28)13-12-27-25(30)26(11-6-18-32-26)20-21-7-5-8-22(19-21)23-9-3-4-10-24(23)31-2/h3-5,7-10,19H,6,11-18,20H2,1-2H3,(H,27,30)/t26-/m0/s1.

What are the key properties of (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide?

(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).