(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine

C28H40N2O2 — CID 66994887

IUPAC(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1
InChIInChI=1S/C28H40N2O2/c1-6-22-11-10-12-23(7-2)28(22)26-15-27(32-24-13-8-9-14-24)25(21(5)29-26)18-30-16-19(3)31-20(4)17-30/h10-12,15,19-20,24H,6-9,13-14,16-18H2,1-5H3/t19-,20-/m1/s1
InChIKeyXTMMOYZUZNDWAE-WOJBJXKFSA-N
MW436.64 g/mol
LogP6.11
Rot. Bonds7

About (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine (PubChem CID 66994887) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
PubChem CID66994887
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1
InChIInChI=1S/C28H40N2O2/c1-6-22-11-10-12-23(7-2)28(22)26-15-27(32-24-13-8-9-14-24)25(21(5)29-26)18-30-16-19(3)31-20(4)17-30/h10-12,15,19-20,24H,6-9,13-14,16-18H2,1-5H3/t19-,20-/m1/s1
InChIKeyXTMMOYZUZNDWAE-WOJBJXKFSA-N
XLogP6.11
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine (CID 66994887) is (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine is CCc1cccc(CC)c1-c1cc(OC2CCCC2)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1.
What is the InChIKey of (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is XTMMOYZUZNDWAE-WOJBJXKFSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-6-22-11-10-12-23(7-2)28(22)26-15-27(32-24-13-8-9-14-24)25(21(5)29-26)18-30-16-19(3)31-20(4)17-30/h10-12,15,19-20,24H,6-9,13-14,16-18H2,1-5H3/t19-,20-/m1/s1.
What are the key properties of (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 436.64 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[[4-cyclopentyloxy-6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 66994887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).