(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide

C24H39NO2 — CID 141307261

IUPAC(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H39NO2/c1-22(2,3)25-21(27)20-9-8-18-17-7-6-15-14-16(26)10-12-23(15,4)19(17)11-13-24(18,20)5/h15,17-20H,6-14H2,1-5H3,(H,25,27)/t15-,17-,18-,19-,20+,23-,24-/m0/s1
InChIKeyWPQSAGZMJHFFGF-FLVLYDBPSA-N
MW373.58 g/mol
LogP5.13
Rot. Bonds1

About (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide

(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 141307261) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide
PubChem CID141307261
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H39NO2/c1-22(2,3)25-21(27)20-9-8-18-17-7-6-15-14-16(26)10-12-23(15,4)19(17)11-13-24(18,20)5/h15,17-20H,6-14H2,1-5H3,(H,25,27)/t15-,17-,18-,19-,20+,23-,24-/m0/s1
InChIKeyWPQSAGZMJHFFGF-FLVLYDBPSA-N
XLogP5.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide (CID 141307261) is (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide is CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is WPQSAGZMJHFFGF-FLVLYDBPSA-N. The full InChI is InChI=1S/C24H39NO2/c1-22(2,3)25-21(27)20-9-8-18-17-7-6-15-14-16(26)10-12-23(15,4)19(17)11-13-24(18,20)5/h15,17-20H,6-14H2,1-5H3,(H,25,27)/t15-,17-,18-,19-,20+,23-,24-/m0/s1.
What are the key properties of (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide?
(5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 373.58 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,9S,10S,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 141307261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).