(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione

C32H46N2O3 — CID 56668367

IUPAC(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione
SMILESCCN(CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)OC1=O)Cc1ccccc1
InChIInChI=1S/C32H46N2O3/c1-4-33(21-23-8-6-5-7-9-23)18-19-34-22-32(37-29(34)36)17-16-30(2)24(20-32)10-11-25-26-12-13-28(35)31(26,3)15-14-27(25)30/h5-9,24-27H,4,10-22H2,1-3H3/t24-,25-,26-,27-,30-,31-,32+/m0/s1
InChIKeyFZIGSBNUCVLZFQ-VMIUUUFISA-N
MW506.73 g/mol
LogP6.31
Rot. Bonds6

About (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione

(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione (PubChem CID 56668367) has the molecular formula C32H46N2O3 and a molecular weight of 506.73 g/mol. Its IUPAC name is (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione.

Molecular Properties

Compound Name(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione
PubChem CID56668367
Molecular FormulaC32H46N2O3
Molecular Weight506.73 g/mol
Exact Mass506.35
IUPAC Name(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione
SMILESCCN(CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)OC1=O)Cc1ccccc1
InChIInChI=1S/C32H46N2O3/c1-4-33(21-23-8-6-5-7-9-23)18-19-34-22-32(37-29(34)36)17-16-30(2)24(20-32)10-11-25-26-12-13-28(35)31(26,3)15-14-27(25)30/h5-9,24-27H,4,10-22H2,1-3H3/t24-,25-,26-,27-,30-,31-,32+/m0/s1
InChIKeyFZIGSBNUCVLZFQ-VMIUUUFISA-N
XLogP6.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-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 (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione?
The IUPAC name of (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione (CID 56668367) is (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione.
What is the SMILES notation for (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione?
The canonical SMILES for (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione is CCN(CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)OC1=O)Cc1ccccc1.
What is the InChIKey of (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione?
The InChIKey is FZIGSBNUCVLZFQ-VMIUUUFISA-N. The full InChI is InChI=1S/C32H46N2O3/c1-4-33(21-23-8-6-5-7-9-23)18-19-34-22-32(37-29(34)36)17-16-30(2)24(20-32)10-11-25-26-12-13-28(35)31(26,3)15-14-27(25)30/h5-9,24-27H,4,10-22H2,1-3H3/t24-,25-,26-,27-,30-,31-,32+/m0/s1.
What are the key properties of (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione?
(5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione has a molecular weight of 506.73 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,5'S,8'R,9'S,10'S,13'S,14'S)-3-[2-[benzyl(ethyl)amino]ethyl]-10',13'-dimethylspiro[1,3-oxazolidine-5,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-2,17'-dione is sourced from PubChem (CID 56668367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).