[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane

C24H35NO3 — CID 143419655

IUPAC[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane
SMILESCC.CN(C)C(=O)OC1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C22H29NO3.C2H6/c1-21-11-9-15(24)13-14(21)5-6-16-17-7-8-19(26-20(25)23(3)4)22(17,2)12-10-18(16)21;1-2/h5-6,10,13,16-17,19H,7-9,11-12H2,1-4H3;1-2H3/t16?,17?,19?,21-,22-;/m0./s1
InChIKeyBOJYQTIYFTXCRS-FVMOBMLQSA-N
MW385.55 g/mol
LogP5.31
Rot. Bonds1

About [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane

[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane (PubChem CID 143419655) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane.

Molecular Properties

Compound Name[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane
PubChem CID143419655
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane
SMILESCC.CN(C)C(=O)OC1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C22H29NO3.C2H6/c1-21-11-9-15(24)13-14(21)5-6-16-17-7-8-19(26-20(25)23(3)4)22(17,2)12-10-18(16)21;1-2/h5-6,10,13,16-17,19H,7-9,11-12H2,1-4H3;1-2H3/t16?,17?,19?,21-,22-;/m0./s1
InChIKeyBOJYQTIYFTXCRS-FVMOBMLQSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane 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

10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 20779723
(13S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
CID 143236807
2-[[(8S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]methyl]propanedioic acid
CID 141078425
(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate
CID 166888128
(10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
CID 14333868
15-hydroxy-2,16-dimethyltetracyclo[8.8.1.02,7.011,16]nonadeca-1(18),6,8-trien-5-one
CID 143236815
[(7R)-7-[(2-methoxyacetyl)oxymethyl]-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
CID 143419716
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate
CID 91703612
[(8R,9S,13S,14S,17S)-13-methyl-3-oxo-10-prop-2-ynyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 54502015
(8S,10R,13S,14S)-10,13-dimethyl-2-methylidene-1,8,12,14,15,16-hexahydrocyclopenta[a]phenanthrene-3,17-dione
CID 91065445
acetyl 2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetate
CID 90980285
(8S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 18607933

Frequently Asked Questions

What is the IUPAC name of [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane?
The IUPAC name of [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane (CID 143419655) is [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane.
What is the SMILES notation for [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane?
The canonical SMILES for [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane is CC.CN(C)C(=O)OC1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C.
What is the InChIKey of [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane?
The InChIKey is BOJYQTIYFTXCRS-FVMOBMLQSA-N. The full InChI is InChI=1S/C22H29NO3.C2H6/c1-21-11-9-15(24)13-14(21)5-6-16-17-7-8-19(26-20(25)23(3)4)22(17,2)12-10-18(16)21;1-2/h5-6,10,13,16-17,19H,7-9,11-12H2,1-4H3;1-2H3/t16?,17?,19?,21-,22-;/m0./s1.
What are the key properties of [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane?
[(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane has a molecular weight of 385.55 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(10R,13S)-10,13-dimethyl-3-oxo-1,2,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] N,N-dimethylcarbamate;ethane is sourced from PubChem (CID 143419655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).