6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C30H38N2O2 — CID 45168168

About 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45168168) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45168168
• Molecular Formula: C30H38N2O2
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.29
• IUPAC Name: 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: C/C(=C\c1ccccc1)CN1CCC2(CC1)CC2C(=O)NCC1(c2ccccc2)CCOCC1
• InChI: InChI=1S/C30H38N2O2/c1-24(20-25-8-4-2-5-9-25)22-32-16-12-29(13-17-32)21-27(29)28(33)31-23-30(14-18-34-19-15-30)26-10-6-3-7-11-26/h2-11,20,27H,12-19,21-23H2,1H3,(H,31,33)/b24-20+
• InChIKey: NNACXUMGQZGTBL-HIXSDJFHSA-N
• XLogP: 5.06
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45168168) is 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is C/C(=C\c1ccccc1)CN1CCC2(CC1)CC2C(=O)NCC1(c2ccccc2)CCOCC1.

What is the InChIKey of 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is NNACXUMGQZGTBL-HIXSDJFHSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-24(20-25-8-4-2-5-9-25)22-32-16-12-29(13-17-32)21-27(29)28(33)31-23-30(14-18-34-19-15-30)26-10-6-3-7-11-26/h2-11,20,27H,12-19,21-23H2,1H3,(H,31,33)/b24-20+.

What are the key properties of 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45168168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).