N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C26H34N2O2 — CID 9499477

About N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 9499477) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• PubChem CID: 9499477
• Molecular Formula: C26H34N2O2
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.26
• IUPAC Name: N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
• SMILES: CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C
• InChI: InChI=1S/C26H34N2O2/c1-4-5-6-7-11-18-26(30)27-20(2)19-25(23-16-12-13-17-24(23)27)28(21(3)29)22-14-9-8-10-15-22/h8-10,12-17,20,25H,4-7,11,18-19H2,1-3H3/t20-,25-/m1/s1
• InChIKey: LNRCGHMSUKJHHS-CJFMBICVSA-N
• XLogP: 6.27
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The IUPAC name of N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 9499477) is N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

What is the SMILES notation for N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The canonical SMILES for N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C.

What is the InChIKey of N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

The InChIKey is LNRCGHMSUKJHHS-CJFMBICVSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-4-5-6-7-11-18-26(30)27-20(2)19-25(23-16-12-13-17-24(23)27)28(21(3)29)22-14-9-8-10-15-22/h8-10,12-17,20,25H,4-7,11,18-19H2,1-3H3/t20-,25-/m1/s1.

What are the key properties of N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?

N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 406.57 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 9499477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).