N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

C26H36N4O3 — CID 165116065

About N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (PubChem CID 165116065) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
• PubChem CID: 165116065
• Molecular Formula: C26H36N4O3
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.28
• IUPAC Name: N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
• SMILES: Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(CCC(=O)NCCO)c1
• InChI: InChI=1S/C26H36N4O3/c1-19-7-9-23(30-14-12-29(3)13-15-30)18-24(19)26(33)28-20(2)22-6-4-5-21(17-22)8-10-25(32)27-11-16-31/h4-7,9,17-18,20,31H,8,10-16H2,1-3H3,(H,27,32)(H,28,33)/t20-/m1/s1
• InChIKey: SWRCGJMMULRABN-HXUWFJFHSA-N
• XLogP: 2.28
• TPSA: 84.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?

The IUPAC name of N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (CID 165116065) is N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.

What is the SMILES notation for N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?

The canonical SMILES for N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(CCC(=O)NCCO)c1.

What is the InChIKey of N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?

The InChIKey is SWRCGJMMULRABN-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-19-7-9-23(30-14-12-29(3)13-15-30)18-24(19)26(33)28-20(2)22-6-4-5-21(17-22)8-10-25(32)27-11-16-31/h4-7,9,17-18,20,31H,8,10-16H2,1-3H3,(H,27,32)(H,28,33)/t20-/m1/s1.

What are the key properties of N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?

N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 452.60 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-[3-(2-hydroxyethylamino)-3-oxopropyl]phenyl]ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 165116065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).