2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide

C24H29Cl2N3O3 — CID 73212589

About 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide

2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide (PubChem CID 73212589) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
• PubChem CID: 73212589
• Molecular Formula: C24H29Cl2N3O3
• Molecular Weight: 478.42 g/mol
• Exact Mass: 477.16
• IUPAC Name: 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
• SMILES: CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/m0/s1
• InChIKey: JTWBOGSLXPTDHG-NRFANRHFSA-N
• XLogP: 3.58
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.42
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?

The IUPAC name of 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide (CID 73212589) is 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide.

What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?

The canonical SMILES for 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide is CC(C)(C(=O)N[C@H](C(=O)NCCN1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?

The InChIKey is JTWBOGSLXPTDHG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c1-24(2,18-14-19(25)16-20(26)15-18)23(31)28-21(17-6-4-3-5-7-17)22(30)27-8-9-29-10-12-32-13-11-29/h3-7,14-16,21H,8-13H2,1-2H3,(H,27,30)(H,28,31)/t21-/m0/s1.

What are the key properties of 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide?

2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 478.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 73212589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).