(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane

C19H25NO5 — CID 101390171

IUPAC(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
SMILESCC1(C)O[C@H]2OC3C4C(CO[C@H]3[C@H]2O1)C(C)(C)ON4c1ccccc1
InChIInChI=1S/C19H25NO5/c1-18(2)12-10-21-15-14(22-17-16(15)23-19(3,4)24-17)13(12)20(25-18)11-8-6-5-7-9-11/h5-9,12-17H,10H2,1-4H3/t12?,13?,14?,15-,16-,17-/m1/s1
InChIKeyGJKIKDONPSONTG-LVADXWLWSA-N
MW347.41 g/mol
LogP2.48
Rot. Bonds1

About (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane

(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane (PubChem CID 101390171) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane.

Molecular Properties

Compound Name(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
PubChem CID101390171
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
SMILESCC1(C)O[C@H]2OC3C4C(CO[C@H]3[C@H]2O1)C(C)(C)ON4c1ccccc1
InChIInChI=1S/C19H25NO5/c1-18(2)12-10-21-15-14(22-17-16(15)23-19(3,4)24-17)13(12)20(25-18)11-8-6-5-7-9-11/h5-9,12-17H,10H2,1-4H3/t12?,13?,14?,15-,16-,17-/m1/s1
InChIKeyGJKIKDONPSONTG-LVADXWLWSA-N
XLogP2.48
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane?
The IUPAC name of (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane (CID 101390171) is (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane.
What is the SMILES notation for (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane?
The canonical SMILES for (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane is CC1(C)O[C@H]2OC3C4C(CO[C@H]3[C@H]2O1)C(C)(C)ON4c1ccccc1.
What is the InChIKey of (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane?
The InChIKey is GJKIKDONPSONTG-LVADXWLWSA-N. The full InChI is InChI=1S/C19H25NO5/c1-18(2)12-10-21-15-14(22-17-16(15)23-19(3,4)24-17)13(12)20(25-18)11-8-6-5-7-9-11/h5-9,12-17H,10H2,1-4H3/t12?,13?,14?,15-,16-,17-/m1/s1.
What are the key properties of (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane?
(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane has a molecular weight of 347.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane is sourced from PubChem (CID 101390171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).