N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

C19H28N4O — CID 124849945

About N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 124849945) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
• PubChem CID: 124849945
• Molecular Formula: C19H28N4O
• Molecular Weight: 328.46 g/mol
• Exact Mass: 328.23
• IUPAC Name: N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
• SMILES: Cc1ccc(CN(C)CC(=O)N[C@H](c2nccn2C)C(C)C)cc1
• InChI: InChI=1S/C19H28N4O/c1-14(2)18(19-20-10-11-23(19)5)21-17(24)13-22(4)12-16-8-6-15(3)7-9-16/h6-11,14,18H,12-13H2,1-5H3,(H,21,24)/t18-/m0/s1
• InChIKey: PSKHULBMMGZWHA-SFHVURJKSA-N
• XLogP: 2.67
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?

The IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (CID 124849945) is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?

The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)N[C@H](c2nccn2C)C(C)C)cc1.

What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?

The InChIKey is PSKHULBMMGZWHA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)18(19-20-10-11-23(19)5)21-17(24)13-22(4)12-16-8-6-15(3)7-9-16/h6-11,14,18H,12-13H2,1-5H3,(H,21,24)/t18-/m0/s1.

What are the key properties of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 124849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).