N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide

C30H34N2O2 — CID 75102703

About N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 75102703) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 75102703
• Molecular Formula: C30H34N2O2
• Molecular Weight: 454.61 g/mol
• Exact Mass: 454.26
• IUPAC Name: N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CCN(CC=Cc1ccco1)CC2
• InChI: InChI=1S/C30H34N2O2/c33-29(31-18-15-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25)28-23-30(28)16-20-32(21-17-30)19-7-13-26-14-8-22-34-26/h1-14,22,27-28H,15-21,23H2,(H,31,33)
• InChIKey: ILBQCIJKDIRFOH-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.61
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 75102703) is N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CCN(CC=Cc1ccco1)CC2.

What is the InChIKey of N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is ILBQCIJKDIRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c33-29(31-18-15-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25)28-23-30(28)16-20-32(21-17-30)19-7-13-26-14-8-22-34-26/h1-14,22,27-28H,15-21,23H2,(H,31,33).

What are the key properties of N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?

N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 75102703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).