N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide

C23H33NO3 — CID 14234203

IUPACN-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide
SMILESCC[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=C(NC(C)=O)C(=O)CC[C@@]43C)[C@H]12
InChIInChI=1S/C23H33NO3/c1-5-14-12-19(27)23(4)10-8-16-15(20(14)23)6-7-17-21(24-13(2)25)18(26)9-11-22(16,17)3/h14-16,20H,5-12H2,1-4H3,(H,24,25)/t14-,15+,16-,20-,22+,23+/m0/s1
InChIKeyAFHYYNFRSWKTCM-HVXMTFNESA-N
MW371.52 g/mol
LogP4.19
Rot. Bonds2

About N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide

N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide (PubChem CID 14234203) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide.

Molecular Properties

Compound NameN-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide
PubChem CID14234203
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC NameN-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide
SMILESCC[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=C(NC(C)=O)C(=O)CC[C@@]43C)[C@H]12
InChIInChI=1S/C23H33NO3/c1-5-14-12-19(27)23(4)10-8-16-15(20(14)23)6-7-17-21(24-13(2)25)18(26)9-11-22(16,17)3/h14-16,20H,5-12H2,1-4H3,(H,24,25)/t14-,15+,16-,20-,22+,23+/m0/s1
InChIKeyAFHYYNFRSWKTCM-HVXMTFNESA-N
XLogP4.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide with MolForge

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Related Compounds

(8R,9S,10R,13S,14S,15S)-15-hexyl-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 14234175
(8S,9S,10R,13S,14S,17R)-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-4-(methylamino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 67766590
acetic acid;(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-4,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 86734746
(8S,9S,10R,13S,14S,17S)-17-acetyl-4-bromo-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 10691953
(8R,9S,10R,13S,14R)-10,13-dimethyl-15-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 154314024
(8R,9S,10R,13S,14S,17R)-17-acetyl-4-amino-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 15291378
(8R,9S,10R,13S,14S,17S)-4-ethyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 68730646
(10R,13S)-17-(1-fluoroethylidene)-4,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 91022633
ethyl 2-[(8R,9S,10R,13S,14S)-4-ethyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-2-fluoroacetate
CID 70178305
[(10R,13S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-15-yl] 2,2-dimethylpropanoate
CID 70807667
N-[(8R,9S,10R,13S,14S)-7-but-3-ynyl-10,13-dimethyl-3,17-dioxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide
CID 54152025
[(8R,9S,10R,13S,14S)-4-bromo-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 22213182

Frequently Asked Questions

What is the IUPAC name of N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide?
The IUPAC name of N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide (CID 14234203) is N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide.
What is the SMILES notation for N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide?
The canonical SMILES for N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide is CC[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@@H](CCC4=C(NC(C)=O)C(=O)CC[C@@]43C)[C@H]12.
What is the InChIKey of N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide?
The InChIKey is AFHYYNFRSWKTCM-HVXMTFNESA-N. The full InChI is InChI=1S/C23H33NO3/c1-5-14-12-19(27)23(4)10-8-16-15(20(14)23)6-7-17-21(24-13(2)25)18(26)9-11-22(16,17)3/h14-16,20H,5-12H2,1-4H3,(H,24,25)/t14-,15+,16-,20-,22+,23+/m0/s1.
What are the key properties of N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide?
N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide has a molecular weight of 371.52 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R,9S,10R,13S,14S,15S)-15-ethyl-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl]acetamide is sourced from PubChem (CID 14234203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).