N-methoxy-N-methylcyclohexanecarboxamide

CAS No.：

Cat. No.: SC23479

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Product Name :N-methoxy-N-methylcyclohexanecarboxamide

Cat. No.: :SC23479

Purity / Specification :—

CAS No. :80783-98-8

MDL No. :MFCD12406909

Molecular Formula :C₉H₁₇NO₂

LogP :1.90

Molecular Weight :171.24

TPSA :29.5

Category :Building Blocks

HSN Code :—

SMILES Code :CON(C)C(=O)C1CCCCC1

Melting Point :—

InChI Key : :MVBZPHKLBBUMNK-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 171.2 Da

LogP ≤ 5✓ 1.90

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

68/100

Moderate — typical building block

Predicted LogP

1.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 29.5Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.