(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide

C22H37NO2 — CID 163723871

IUPAC(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide
SMILESC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(N)=O)CCCC[C@@H]32)C1
InChIInChI=1S/C22H37NO2/c1-21(25)11-9-15-14(13-21)7-8-17-16(15)10-12-22(2)18(17)5-3-4-6-19(22)20(23)24/h14-19,25H,3-13H2,1-2H3,(H2,23,24)/t14-,15+,16-,17-,18+,19?,21-,22+/m1/s1
InChIKeyKTXZEEOUAANJLS-LZNFYTPZSA-N
MW347.54 g/mol
LogP4.27
Rot. Bonds1

About (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide

(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide (PubChem CID 163723871) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide.

Molecular Properties

Compound Name(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide
PubChem CID163723871
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide
SMILESC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(N)=O)CCCC[C@@H]32)C1
InChIInChI=1S/C22H37NO2/c1-21(25)11-9-15-14(13-21)7-8-17-16(15)10-12-22(2)18(17)5-3-4-6-19(22)20(23)24/h14-19,25H,3-13H2,1-2H3,(H2,23,24)/t14-,15+,16-,17-,18+,19?,21-,22+/m1/s1
InChIKeyKTXZEEOUAANJLS-LZNFYTPZSA-N
XLogP4.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide?
The IUPAC name of (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide (CID 163723871) is (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide.
What is the SMILES notation for (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide?
The canonical SMILES for (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide is C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(N)=O)CCCC[C@@H]32)C1.
What is the InChIKey of (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide?
The InChIKey is KTXZEEOUAANJLS-LZNFYTPZSA-N. The full InChI is InChI=1S/C22H37NO2/c1-21(25)11-9-15-14(13-21)7-8-17-16(15)10-12-22(2)18(17)5-3-4-6-19(22)20(23)24/h14-19,25H,3-13H2,1-2H3,(H2,23,24)/t14-,15+,16-,17-,18+,19?,21-,22+/m1/s1.
What are the key properties of (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide?
(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide has a molecular weight of 347.54 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide is sourced from PubChem (CID 163723871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).