15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide

C28H41NO2 — CID 155753434

IUPAC15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide
SMILESCC1(O)CCC2C(CCC3C2CCC2(C)CC(C(=O)Nc4ccccc4)CCCC32)C1
InChIInChI=1S/C28H41NO2/c1-27-15-13-23-22-14-16-28(2,31)18-19(22)11-12-24(23)25(27)10-6-7-20(17-27)26(30)29-21-8-4-3-5-9-21/h3-5,8-9,19-20,22-25,31H,6-7,10-18H2,1-2H3,(H,29,30)
InChIKeyWGXNKZDRNRJFGX-UHFFFAOYSA-N
MW423.64 g/mol
LogP6.43
Rot. Bonds2

About 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide

15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide (PubChem CID 155753434) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide.

Molecular Properties

Compound Name15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide
PubChem CID155753434
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide
SMILESCC1(O)CCC2C(CCC3C2CCC2(C)CC(C(=O)Nc4ccccc4)CCCC32)C1
InChIInChI=1S/C28H41NO2/c1-27-15-13-23-22-14-16-28(2,31)18-19(22)11-12-24(23)25(27)10-6-7-20(17-27)26(30)29-21-8-4-3-5-9-21/h3-5,8-9,19-20,22-25,31H,6-7,10-18H2,1-2H3,(H,29,30)
InChIKeyWGXNKZDRNRJFGX-UHFFFAOYSA-N
XLogP6.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4aS,4bR,6aR,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-N-phenyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysene-1-carboxamide
CID 151746851
(1R,2S,7S,8S,9S,11R,12S,15R,17R)-15-hydroxy-9,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide
CID 175056880
N-[[(1S,4aS,4bR,6aR,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]methyl]-2-fluorobenzamide
CID 155438568
3,13-dimethyl-N-phenyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 134175647
(3R,5R,8R,9R,10S,13S,14S)-3-ethynyl-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 21310338
(1R,2S,8S,11R,12S,15R,17R)-15-hydroxy-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane-7-carboxamide
CID 163723871
[(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-(2-methylphenyl)-oxophosphanium
CID 174992208
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
2-bromo-1-[(3R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 147631319
(3R,5R,9R,10S,13S,14S,17S)-17-imidazo[1,2-a]pyridin-2-yl-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 122452663
1-[(1R,2S,5R,7S,10R,11S,13S,14S)-5-hydroxy-5,14-dimethyl-13-tetracyclo[8.6.0.02,7.011,14]hexadecanyl]ethanone
CID 155668586
(3R,5R,8S,9R,10S,13S,14S,17S)-3-hydroxy-3,9,13-trimethyl-N-phenyl-1,2,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbothioamide
CID 170184062

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide?
The IUPAC name of 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide (CID 155753434) is 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide.
What is the SMILES notation for 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide?
The canonical SMILES for 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide is CC1(O)CCC2C(CCC3C2CCC2(C)CC(C(=O)Nc4ccccc4)CCCC32)C1.
What is the InChIKey of 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide?
The InChIKey is WGXNKZDRNRJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO2/c1-27-15-13-23-22-14-16-28(2,31)18-19(22)11-12-24(23)25(27)10-6-7-20(17-27)26(30)29-21-8-4-3-5-9-21/h3-5,8-9,19-20,22-25,31H,6-7,10-18H2,1-2H3,(H,29,30).
What are the key properties of 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide?
15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide has a molecular weight of 423.64 g/mol, XLogP of 6.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide is sourced from PubChem (CID 155753434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).