N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C29H40N2O4 — CID 133126140

About N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 133126140) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• PubChem CID: 133126140
• Molecular Formula: C29H40N2O4
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.30
• IUPAC Name: N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• SMILES: CCC(=O)N[C@H]1c2ccccc2C2(CCN(Cc3ccc(OC)c(C)c3C)CC2)[C@@H]1OCCOC
• InChI: InChI=1S/C29H40N2O4/c1-6-26(32)30-27-23-9-7-8-10-24(23)29(28(27)35-18-17-33-4)13-15-31(16-14-29)19-22-11-12-25(34-5)21(3)20(22)2/h7-12,27-28H,6,13-19H2,1-5H3,(H,30,32)/t27-,28+/m0/s1
• InChIKey: UMVWMKOYQFAPMU-WUFINQPMSA-N
• XLogP: 4.46
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The IUPAC name of N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 133126140) is N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

What is the SMILES notation for N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The canonical SMILES for N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@H]1c2ccccc2C2(CCN(Cc3ccc(OC)c(C)c3C)CC2)[C@@H]1OCCOC.

What is the InChIKey of N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The InChIKey is UMVWMKOYQFAPMU-WUFINQPMSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-6-26(32)30-27-23-9-7-8-10-24(23)29(28(27)35-18-17-33-4)13-15-31(16-14-29)19-22-11-12-25(34-5)21(3)20(22)2/h7-12,27-28H,6,13-19H2,1-5H3,(H,30,32)/t27-,28+/m0/s1.

What are the key properties of N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 480.65 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-1'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 133126140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).