N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide

C₂₁H₃₉NO₂ — CID 155071172

About N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide

N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide (PubChem CID 155071172) has the molecular formula C₂₁H₃₉NO₂ and a molecular weight of 337.55 g/mol. Its IUPAC name is N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide
• PubChem CID: 155071172
• Molecular Formula: C₂₁H₃₉NO₂
• Molecular Weight: 337.55 g/mol
• Exact Mass: 337.30
• IUPAC Name: N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide
• SMILES: CCC(CCCCC(C)C)CC(=O)NC[C@H](OC)C1=CCCCC1
• InChI: InChI=1S/C21H39NO2/c1-5-18(12-10-9-11-17(2)3)15-21(23)22-16-20(24-4)19-13-7-6-8-14-19/h13,17-18,20H,5-12,14-16H2,1-4H3,(H,22,23)/t18?,20-/m0/s1
• InChIKey: WLEUAZIGGVOPJF-IJHRGXPZSA-N
• XLogP: 5.25
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	337.55
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide?

The IUPAC name of N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide (CID 155071172) is N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide.

What is the SMILES notation for N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide?

The canonical SMILES for N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide is CCC(CCCCC(C)C)CC(=O)NC[C@H](OC)C1=CCCCC1.

What is the InChIKey of N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide?

The InChIKey is WLEUAZIGGVOPJF-IJHRGXPZSA-N. The full InChI is InChI=1S/C21H39NO2/c1-5-18(12-10-9-11-17(2)3)15-21(23)22-16-20(24-4)19-13-7-6-8-14-19/h13,17-18,20H,5-12,14-16H2,1-4H3,(H,22,23)/t18?,20-/m0/s1.

What are the key properties of N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide?

N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide has a molecular weight of 337.55 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(cyclohexen-1-yl)-2-methoxyethyl]-3-ethyl-8-methylnonanamide is sourced from PubChem (CID 155071172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155071172 — identifiers, structure, computed properties (public domain)

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