Levomethadyl acetate

C₂₃H₃₁NO₂ — CID 15130

About Levomethadyl acetate

Levomethadyl acetate (PubChem CID 15130) has the molecular formula C₂₃H₃₁NO₂ and a molecular weight of 353.51 g/mol. Its IUPAC name is [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate.

Molecular Properties

• Compound Name: Levomethadyl acetate
• PubChem CID: 15130
• Molecular Formula: C₂₃H₃₁NO₂
• Molecular Weight: 353.51 g/mol
• Exact Mass: 353.24
• IUPAC Name: [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
• SMILES: CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
• InChIKey: XBMIVRRWGCYBTQ-AVRDEDQJSA-N
• XLogP: 4.65
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.51
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Levomethadyl acetate?

The IUPAC name of Levomethadyl acetate (CID 15130) is [(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate.

What is the SMILES notation for Levomethadyl acetate?

The canonical SMILES for Levomethadyl acetate is CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of Levomethadyl acetate?

The InChIKey is XBMIVRRWGCYBTQ-AVRDEDQJSA-N. The full InChI is InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1.

What are the key properties of Levomethadyl acetate?

Levomethadyl acetate has a molecular weight of 353.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Levomethadyl acetate is sourced from PubChem (CID 15130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15130 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1571 — approved-drug record (CC BY-SA 4.0)

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