(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol

C24H43NO3 — CID 15838424

IUPAC(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol
SMILESCN(C)CCCO[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChIInChI=1S/C24H43NO3/c1-23-10-8-16(28-13-5-12-25(3)4)14-20(23)21(26)15-17-18-6-7-22(27)24(18,2)11-9-19(17)23/h16-22,26-27H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKeyLKELZCBINVAELO-OPTXLBARSA-N
MW393.61 g/mol
LogP3.70
Rot. Bonds5

About (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol

(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol (PubChem CID 15838424) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol.

Molecular Properties

Compound Name(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol
PubChem CID15838424
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Name(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol
SMILESCN(C)CCCO[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChIInChI=1S/C24H43NO3/c1-23-10-8-16(28-13-5-12-25(3)4)14-20(23)21(26)15-17-18-6-7-22(27)24(18,2)11-9-19(17)23/h16-22,26-27H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKeyLKELZCBINVAELO-OPTXLBARSA-N
XLogP3.70
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.61
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol 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

3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 77430871
(3S,5S,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol
CID 21309613
(3S,6S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol
CID 151314110
(3S,5S,6S,10R,13S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol
CID 59890137
(3S,5S,6S,10R,13S,17S)-3-ethenyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol
CID 88996790
(5S,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 154369286
[(5S,6R,8R,9S,10R,13S,14S)-17-acetyloxy-6-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 134882960
10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 77430834
(3S,6S,8R,9S,10R,13S,14S,17S)-4,4,10,13-tetramethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,17-triol
CID 68730642
(3S,5S,8S,9S,10S,13S,14R,17S)-10,13-dimethyl-3-phenylmethoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 11868913
(3Z,5S,6S,10R,13S,17S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,17-diol
CID 59890136
(3S,5S,8R,9S,10R,13S,14S)-3-methoxy-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxetane]-6-ol
CID 130231283

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol?
The IUPAC name of (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol (CID 15838424) is (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol.
What is the SMILES notation for (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol?
The canonical SMILES for (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol is CN(C)CCCO[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.
What is the InChIKey of (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol?
The InChIKey is LKELZCBINVAELO-OPTXLBARSA-N. The full InChI is InChI=1S/C24H43NO3/c1-23-10-8-16(28-13-5-12-25(3)4)14-20(23)21(26)15-17-18-6-7-22(27)24(18,2)11-9-19(17)23/h16-22,26-27H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21+,22-,23+,24-/m0/s1.
What are the key properties of (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol?
(3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol has a molecular weight of 393.61 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R,8R,9S,10R,13S,14S,17S)-3-[3-(dimethylamino)propoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-6,17-diol is sourced from PubChem (CID 15838424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).