(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine

C27H40N2O2 — CID 66994293

IUPAC(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine
SMILESCCCC(c1cnc(-c2c(CC)cccc2CC)cc1OCC)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C27H40N2O2/c1-7-12-25(29-17-19(5)31-20(6)18-29)23-16-28-24(15-26(23)30-10-4)27-21(8-2)13-11-14-22(27)9-3/h11,13-16,19-20,25H,7-10,12,17-18H2,1-6H3/t19-,20-,25?/m1/s1
InChIKeyRNRXYKHISPWTPL-PRIXLJELSA-N
MW424.63 g/mol
LogP6.22
Rot. Bonds9

About (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine

(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine (PubChem CID 66994293) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine
PubChem CID66994293
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine
SMILESCCCC(c1cnc(-c2c(CC)cccc2CC)cc1OCC)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C27H40N2O2/c1-7-12-25(29-17-19(5)31-20(6)18-29)23-16-28-24(15-26(23)30-10-4)27-21(8-2)13-11-14-22(27)9-3/h11,13-16,19-20,25H,7-10,12,17-18H2,1-6H3/t19-,20-,25?/m1/s1
InChIKeyRNRXYKHISPWTPL-PRIXLJELSA-N
XLogP6.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine (CID 66994293) is (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine is CCCC(c1cnc(-c2c(CC)cccc2CC)cc1OCC)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine?
The InChIKey is RNRXYKHISPWTPL-PRIXLJELSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-7-12-25(29-17-19(5)31-20(6)18-29)23-16-28-24(15-26(23)30-10-4)27-21(8-2)13-11-14-22(27)9-3/h11,13-16,19-20,25H,7-10,12,17-18H2,1-6H3/t19-,20-,25?/m1/s1.
What are the key properties of (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine has a molecular weight of 424.63 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[1-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 66994293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).