(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

C28H41NO2 — CID 175056880

IUPAC(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
SMILESC[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCCC[C@H](C(=O)Nc3ccccc3)[C@H]21
InChIInChI=1S/C28H41NO2/c1-18-16-25-21-14-15-28(2,31)17-19(21)12-13-22(25)23-10-6-7-11-24(26(18)23)27(30)29-20-8-4-3-5-9-20/h3-5,8-9,18-19,21-26,31H,6-7,10-17H2,1-2H3,(H,29,30)/t18-,19+,21-,22-,23-,24-,25+,26-,28+/m0/s1
InChIKeyXBUZRDZEMGBKKH-GGQKWWPOSA-N
MW423.64 g/mol
LogP6.28
Rot. Bonds2

About (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

(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 (PubChem CID 175056880) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175056880
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name(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
SMILESC[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCCC[C@H](C(=O)Nc3ccccc3)[C@H]21
InChIInChI=1S/C28H41NO2/c1-18-16-25-21-14-15-28(2,31)17-19(21)12-13-22(25)23-10-6-7-11-24(26(18)23)27(30)29-20-8-4-3-5-9-20/h3-5,8-9,18-19,21-26,31H,6-7,10-17H2,1-2H3,(H,29,30)/t18-,19+,21-,22-,23-,24-,25+,26-,28+/m0/s1
InChIKeyXBUZRDZEMGBKKH-GGQKWWPOSA-N
XLogP6.28
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 ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

1-[(1R,2S,7R,8S,9S,11R,12S,15R,17R)-15-hydroxy-9,15-dimethyl-7-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]ethanone
CID 175056813
(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
15-hydroxy-8,15-dimethyl-N-phenyltetracyclo[9.8.0.02,8.012,17]nonadecane-6-carboxamide
CID 155753434
1-[2-[(1R,2S,7R,8S,9S,11R,12S,15R,17R)-15-hydroxy-9,15-dimethyl-7-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 175061317
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
CID 121339938
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
1-(3-hydroxy-3,6-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)ethanone
CID 123440965
2-(dimethylamino)-N-phenylcyclohexane-1-carboxamide
CID 71440267
(1R,2R,3S)-1,2-dimethyl-3-(phenylcarbamoyl)cyclohexane-1-carboxylate
CID 7410816
(1S,2S,4R,5S,6R)-5,6-dihydroxy-N-phenylbicyclo[2.2.2]octane-2-carboxamide
CID 10706534

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@](C)(O)CC[C@@H]32)[C@@H]2CCCC[C@H](C(=O)Nc3ccccc3)[C@H]21.
What is the InChIKey of (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?
The InChIKey is XBUZRDZEMGBKKH-GGQKWWPOSA-N. The full InChI is InChI=1S/C28H41NO2/c1-18-16-25-21-14-15-28(2,31)17-19(21)12-13-22(25)23-10-6-7-11-24(26(18)23)27(30)29-20-8-4-3-5-9-20/h3-5,8-9,18-19,21-26,31H,6-7,10-17H2,1-2H3,(H,29,30)/t18-,19+,21-,22-,23-,24-,25+,26-,28+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 423.64 g/mol, XLogP of 6.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175056880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).