(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

C22H33NO2 — CID 56983327

IUPAC(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCCC1CC(=O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4/C(=N/C)C(=O)CC[C@@]43C)[C@H]12
InChIInChI=1S/C22H33NO2/c1-5-13-12-18(25)22(3)10-8-15-14(19(13)22)6-7-16-20(23-4)17(24)9-11-21(15,16)2/h13-16,19H,5-12H2,1-4H3/b23-20-/t13?,14-,15-,16?,19+,21-,22-/m1/s1
InChIKeyYEKUMOCOMYYJNX-JIIQQUITSA-N
MW343.51 g/mol
LogP4.48
Rot. Bonds1

About (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 56983327) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID56983327
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCCC1CC(=O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4/C(=N/C)C(=O)CC[C@@]43C)[C@H]12
InChIInChI=1S/C22H33NO2/c1-5-13-12-18(25)22(3)10-8-15-14(19(13)22)6-7-16-20(23-4)17(24)9-11-21(15,16)2/h13-16,19H,5-12H2,1-4H3/b23-20-/t13?,14-,15-,16?,19+,21-,22-/m1/s1
InChIKeyYEKUMOCOMYYJNX-JIIQQUITSA-N
XLogP4.48
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione (CID 56983327) is (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione is CCC1CC(=O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4/C(=N/C)C(=O)CC[C@@]43C)[C@H]12.
What is the InChIKey of (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is YEKUMOCOMYYJNX-JIIQQUITSA-N. The full InChI is InChI=1S/C22H33NO2/c1-5-13-12-18(25)22(3)10-8-15-14(19(13)22)6-7-16-20(23-4)17(24)9-11-21(15,16)2/h13-16,19H,5-12H2,1-4H3/b23-20-/t13?,14-,15-,16?,19+,21-,22-/m1/s1.
What are the key properties of (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione?
(8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 343.51 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14S)-15-ethyl-10,13-dimethyl-4-methylimino-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 56983327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).