(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C29H34N2O5 — CID 26324463

About (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26324463) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 26324463
• Molecular Formula: C29H34N2O5
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.25
• IUPAC Name: (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2
• InChI: InChI=1S/C29H34N2O5/c32-26(17-21-6-7-24-25(16-21)36-20-35-24)31-12-8-28(9-13-31)18-23(28)27(33)30-19-29(10-14-34-15-11-29)22-4-2-1-3-5-22/h1-7,16,23H,8-15,17-20H2,(H,30,33)/t23-/m0/s1
• InChIKey: RFSBLLCHXIIAHS-QHCPKHFHSA-N
• XLogP: 3.45
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 26324463) is (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2.

What is the InChIKey of (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is RFSBLLCHXIIAHS-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H34N2O5/c32-26(17-21-6-7-24-25(16-21)36-20-35-24)31-12-8-28(9-13-31)18-23(28)27(33)30-19-29(10-14-34-15-11-29)22-4-2-1-3-5-22/h1-7,16,23H,8-15,17-20H2,(H,30,33)/t23-/m0/s1.

What are the key properties of (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26324463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).