(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol

C21H32N2O2 — CID 138510255

IUPAC(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol
SMILESCNC1COC[C@H]2Cc3ccc(O)cc3C(C)(CCN2CC2CC2)C1
InChIInChI=1S/C21H32N2O2/c1-21-7-8-23(12-15-3-4-15)18(14-25-13-17(11-21)22-2)9-16-5-6-19(24)10-20(16)21/h5-6,10,15,17-18,22,24H,3-4,7-9,11-14H2,1-2H3/t17?,18-,21?/m1/s1
InChIKeyGBZLXFNDMMEGPX-IDYZSHNDSA-N
MW344.50 g/mol
LogP2.68
Rot. Bonds3

About (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol

(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol (PubChem CID 138510255) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol
PubChem CID138510255
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol
SMILESCNC1COC[C@H]2Cc3ccc(O)cc3C(C)(CCN2CC2CC2)C1
InChIInChI=1S/C21H32N2O2/c1-21-7-8-23(12-15-3-4-15)18(14-25-13-17(11-21)22-2)9-16-5-6-19(24)10-20(16)21/h5-6,10,15,17-18,22,24H,3-4,7-9,11-14H2,1-2H3/t17?,18-,21?/m1/s1
InChIKeyGBZLXFNDMMEGPX-IDYZSHNDSA-N
XLogP2.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 166025257
(1R,9S)-10-(cyclopropylmethyl)-1-ethyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 76969780
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 23986637
(1S,9R,10R)-17-(cyclobutylmethyl)-12,12-dimethyl-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 54093398
16-(cyclopropylmethyl)-12-propan-2-yl-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4,10-diol
CID 123514689
(9R,13S)-10-(cyclopropylmethyl)-1-methyl-13-(piperidin-4-ylmethylamino)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 140641080
(1S,9R,13S)-10-(cyclopropylmethyl)-1-methyl-13-(piperidin-4-ylmethylamino)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90123198
(1S,9R,10S,12R)-16-(cyclopropylmethyl)-4,10-dihydroxy-N-(2-methylpropyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-12-carboxamide
CID 122699231
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
(1R,9R,10S,12R,13S)-17-(cyclopropylmethyl)-12-(2-methylpropylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10,13-triol
CID 118203357
N-[17-(cyclopropylmethyl)-4-methoxy-1,10-dimethyl-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-13-yl]cyclopropanecarboxamide
CID 123668375
N-[17-(cyclopropylmethyl)-4,10-dihydroxy-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]-2-methylpropanamide
CID 123925888

Frequently Asked Questions

What is the IUPAC name of (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol (CID 138510255) is (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol is CNC1COC[C@H]2Cc3ccc(O)cc3C(C)(CCN2CC2CC2)C1.
What is the InChIKey of (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol?
The InChIKey is GBZLXFNDMMEGPX-IDYZSHNDSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21-7-8-23(12-15-3-4-15)18(14-25-13-17(11-21)22-2)9-16-5-6-19(24)10-20(16)21/h5-6,10,15,17-18,22,24H,3-4,7-9,11-14H2,1-2H3/t17?,18-,21?/m1/s1.
What are the key properties of (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol?
(9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol has a molecular weight of 344.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-17-(cyclopropylmethyl)-1-methyl-13-(methylamino)-11-oxa-17-azatricyclo[7.5.3.02,7]heptadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 138510255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).