(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

C24H29NO — CID 15934564

IUPAC(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OCc2ccccc2)cc13
InChIInChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3/t21-,23+,24+/m0/s1
InChIKeyIFDCSWVGBHHTOK-QPTUXGOLSA-N
MW347.50 g/mol
LogP4.95
Rot. Bonds3

About (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 15934564) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID15934564
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OCc2ccccc2)cc13
InChIInChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3/t21-,23+,24+/m0/s1
InChIKeyIFDCSWVGBHHTOK-QPTUXGOLSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 15934564) is (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OCc2ccccc2)cc13.
What is the InChIKey of (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is IFDCSWVGBHHTOK-QPTUXGOLSA-N. The full InChI is InChI=1S/C24H29NO/c1-25-14-13-24-12-6-5-9-21(24)23(25)15-19-10-11-20(16-22(19)24)26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,21,23H,5-6,9,12-15,17H2,1H3/t21-,23+,24+/m0/s1.
What are the key properties of (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
(1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 347.50 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-17-methyl-4-phenylmethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 15934564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).