N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide

C30H48N2O2 — CID 24876008

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide (PubChem CID 24876008) has the molecular formula C30H48N2O2 and a molecular weight of 468.73 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide
• PubChem CID: 24876008
• Molecular Formula: C30H48N2O2
• Molecular Weight: 468.73 g/mol
• Exact Mass: 468.37
• IUPAC Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide
• SMILES: CCN(C(=O)C1CCOC(C)(C)C1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
• InChI: InChI=1S/C30H48N2O2/c1-7-32(27(33)23-13-21-34-29(5,6)22-23)26-12-14-30(25-11-9-8-10-24(25)26)16-19-31(20-17-30)18-15-28(2,3)4/h8-11,23,26H,7,12-22H2,1-6H3/t23?,26-/m0/s1
• InChIKey: QAXBBZUOHHILSD-NASUQTAISA-N
• XLogP: 6.34
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.73
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide?

The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide (CID 24876008) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide.

What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide?

The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide is CCN(C(=O)C1CCOC(C)(C)C1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.

What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide?

The InChIKey is QAXBBZUOHHILSD-NASUQTAISA-N. The full InChI is InChI=1S/C30H48N2O2/c1-7-32(27(33)23-13-21-34-29(5,6)22-23)26-12-14-30(25-11-9-8-10-24(25)26)16-19-31(20-17-30)18-15-28(2,3)4/h8-11,23,26H,7,12-22H2,1-6H3/t23?,26-/m0/s1.

What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide?

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide has a molecular weight of 468.73 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 24876008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).