(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane

C24H31NO — CID 166619064

IUPAC(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3cccc(C)c3)cc1)C2
InChIInChI=1S/C24H31NO/c1-19-6-3-7-22(16-19)21-11-9-20(10-12-21)17-25-15-5-14-24(18-25)13-4-8-23(24)26-2/h3,6-7,9-12,16,23H,4-5,8,13-15,17-18H2,1-2H3/t23-,24-/m1/s1
InChIKeyIOEUWOYXEXMALM-DNQXCXABSA-N
MW349.52 g/mol
LogP5.44
Rot. Bonds4

About (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane

(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane (PubChem CID 166619064) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
PubChem CID166619064
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3cccc(C)c3)cc1)C2
InChIInChI=1S/C24H31NO/c1-19-6-3-7-22(16-19)21-11-9-20(10-12-21)17-25-15-5-14-24(18-25)13-4-8-23(24)26-2/h3,6-7,9-12,16,23H,4-5,8,13-15,17-18H2,1-2H3/t23-,24-/m1/s1
InChIKeyIOEUWOYXEXMALM-DNQXCXABSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 164699427
(4R,5R)-7-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135094596
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane (CID 166619064) is (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3cccc(C)c3)cc1)C2.
What is the InChIKey of (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane?
The InChIKey is IOEUWOYXEXMALM-DNQXCXABSA-N. The full InChI is InChI=1S/C24H31NO/c1-19-6-3-7-22(16-19)21-11-9-20(10-12-21)17-25-15-5-14-24(18-25)13-4-8-23(24)26-2/h3,6-7,9-12,16,23H,4-5,8,13-15,17-18H2,1-2H3/t23-,24-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane?
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane has a molecular weight of 349.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane is sourced from PubChem (CID 166619064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).