2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide

C28H39N5O2 — CID 141254987

About 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide

2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide (PubChem CID 141254987) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide.

Molecular Properties

• Compound Name: 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide
• PubChem CID: 141254987
• Molecular Formula: C28H39N5O2
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.31
• IUPAC Name: 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide
• SMILES: CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)NN(C)C)c1ncc(-c2ccc3ccccc3c2)[nH]1
• InChI: InChI=1S/C28H39N5O2/c1-6-23(34)14-8-7-9-15-24(31-27(35)28(2,3)32-33(4)5)26-29-19-25(30-26)22-17-16-20-12-10-11-13-21(20)18-22/h10-13,16-19,24,32H,6-9,14-15H2,1-5H3,(H,29,30)(H,31,35)/t24-/m0/s1
• InChIKey: LNCVQINKLPYHCB-DEOSSOPVSA-N
• XLogP: 5.16
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide?

The IUPAC name of 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide (CID 141254987) is 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide.

What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide?

The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide is CCC(=O)CCCCC[C@H](NC(=O)C(C)(C)NN(C)C)c1ncc(-c2ccc3ccccc3c2)[nH]1.

What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide?

The InChIKey is LNCVQINKLPYHCB-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H39N5O2/c1-6-23(34)14-8-7-9-15-24(31-27(35)28(2,3)32-33(4)5)26-29-19-25(30-26)22-17-16-20-12-10-11-13-21(20)18-22/h10-13,16-19,24,32H,6-9,14-15H2,1-5H3,(H,29,30)(H,31,35)/t24-/m0/s1.

What are the key properties of 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide?

2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide has a molecular weight of 477.65 g/mol, XLogP of 5.16, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylhydrazinyl)-2-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxononyl]propanamide is sourced from PubChem (CID 141254987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).