(7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane

C35H43NO4 — CID 170729570

About (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane

(7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane (PubChem CID 170729570) has the molecular formula C35H43NO4 and a molecular weight of 541.73 g/mol. Its IUPAC name is (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane
• PubChem CID: 170729570
• Molecular Formula: C35H43NO4
• Molecular Weight: 541.73 g/mol
• Exact Mass: 541.32
• IUPAC Name: (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane
• SMILES: COC(OC)[C@H]1COC2(C1)CN(c1ccc([C@@H]3c4ccc(OC(C)(C)C)cc4CC[C@@H]3c3ccccc3)cc1)C2
• InChI: InChI=1S/C35H43NO4/c1-34(2,3)40-29-16-18-31-26(19-29)13-17-30(24-9-7-6-8-10-24)32(31)25-11-14-28(15-12-25)36-22-35(23-36)20-27(21-39-35)33(37-4)38-5/h6-12,14-16,18-19,27,30,32-33H,13,17,20-23H2,1-5H3/t27-,30-,32+/m1/s1
• InChIKey: SADRCNPTFIWRIX-VUSUJWAUSA-N
• XLogP: 6.94
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.73
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane?

The IUPAC name of (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane (CID 170729570) is (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane.

What is the SMILES notation for (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane?

The canonical SMILES for (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane is COC(OC)[C@H]1COC2(C1)CN(c1ccc([C@@H]3c4ccc(OC(C)(C)C)cc4CC[C@@H]3c3ccccc3)cc1)C2.

What is the InChIKey of (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane?

The InChIKey is SADRCNPTFIWRIX-VUSUJWAUSA-N. The full InChI is InChI=1S/C35H43NO4/c1-34(2,3)40-29-16-18-31-26(19-29)13-17-30(24-9-7-6-8-10-24)32(31)25-11-14-28(15-12-25)36-22-35(23-36)20-27(21-39-35)33(37-4)38-5/h6-12,14-16,18-19,27,30,32-33H,13,17,20-23H2,1-5H3/t27-,30-,32+/m1/s1.

What are the key properties of (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane?

(7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 541.73 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(dimethoxymethyl)-2-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 170729570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).