[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C29H33NO3 — CID 46890054

IUPAC[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCOc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1
InChIInChI=1S/C29H33NO3/c1-28(2)15-23-16-29(3,17-28)18-30(23)27(31)22-9-11-25(26(14-22)33-5)21-7-6-20-13-24(32-4)10-8-19(20)12-21/h6-14,23H,15-18H2,1-5H3/t23-,29-/m1/s1
InChIKeyLBLIPVGWOHKGGK-RNWIMVQKSA-N
MW443.59 g/mol
LogP6.56
Rot. Bonds4

About [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 46890054) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID46890054
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Name[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCOc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1
InChIInChI=1S/C29H33NO3/c1-28(2)15-23-16-29(3,17-28)18-30(23)27(31)22-9-11-25(26(14-22)33-5)21-7-6-20-13-24(32-4)10-8-19(20)12-21/h6-14,23H,15-18H2,1-5H3/t23-,29-/m1/s1
InChIKeyLBLIPVGWOHKGGK-RNWIMVQKSA-N
XLogP6.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone with MolForge

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Related Compounds

[4-(2,6-dimethylphenyl)-3-methoxyphenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890530
[3-methoxy-4-(4-methylphenyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 46890654
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)ethane-1,2-dione
CID 155526437
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
(3-Methoxynaphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 7534925
(3,5-Dimethylpiperidin-1-yl)-(3-methoxynaphthalen-2-yl)methanone
CID 24157140
3-methoxy-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 9799726
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(2-methylpyrrolidin-1-yl)methanone
CID 11619374
3-Methoxy-naphthalene-2-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide
CID 14528115
(6-(1-Isopropylpiperidin-4-yloxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 44578605
(4-Methylpiperidin-1-yl)(6-(2-(1-methylpyrrolidin-2-yl)ethoxy)naphthalen-2-yl)methanone
CID 45270277

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 46890054) is [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1.
What is the InChIKey of [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is LBLIPVGWOHKGGK-RNWIMVQKSA-N. The full InChI is InChI=1S/C29H33NO3/c1-28(2)15-23-16-29(3,17-28)18-30(23)27(31)22-9-11-25(26(14-22)33-5)21-7-6-20-13-24(32-4)10-8-19(20)12-21/h6-14,23H,15-18H2,1-5H3/t23-,29-/m1/s1.
What are the key properties of [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
[3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 443.59 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 46890054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).