(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide

C24H39NO2 — CID 121272833

IUPAC(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide
SMILESC[C@H](C(O)CC(N)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H39NO2/c1-15(21(26)14-22(25)27)18-9-10-19-17-8-7-16-6-4-5-12-23(16,2)20(17)11-13-24(18,19)3/h4-5,15-21,26H,6-14H2,1-3H3,(H2,25,27)/t15-,16?,17-,18+,19-,20-,21?,23-,24+/m0/s1
InChIKeyVPCFAHVXZKPJLD-TYXQHUSDSA-N
MW373.58 g/mol
LogP4.68
Rot. Bonds4

About (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide

(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide (PubChem CID 121272833) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide.

Molecular Properties

Compound Name(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide
PubChem CID121272833
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide
SMILESC[C@H](C(O)CC(N)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C24H39NO2/c1-15(21(26)14-22(25)27)18-9-10-19-17-8-7-16-6-4-5-12-23(16,2)20(17)11-13-24(18,19)3/h4-5,15-21,26H,6-14H2,1-3H3,(H2,25,27)/t15-,16?,17-,18+,19-,20-,21?,23-,24+/m0/s1
InChIKeyVPCFAHVXZKPJLD-TYXQHUSDSA-N
XLogP4.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide 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

(1R)-1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 166517186
[(1S)-1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate
CID 11877506
(2S,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
CID 66899887
(2R,6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
CID 66900229
(2S)-2-[(5S,8R,9S,10S,13S,14S,16S,17R)-16-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
CID 46872783
(5S,10S,13R)-10,13,17-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 54300933
(3S)-2-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylheptan-3-ol
CID 162422384
(10S,13S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 22849794
(5S,8R,9S,10S,13S,14S,17R)-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 101210998
(5S,8S,9R,10S,13R,14R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 125028116
(8S,9S,10S,13R,14S,16R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 54260042
(16R)-16-hydroxy-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 59742804

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide?
The IUPAC name of (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide (CID 121272833) is (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide.
What is the SMILES notation for (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide?
The canonical SMILES for (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide is C[C@H](C(O)CC(N)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide?
The InChIKey is VPCFAHVXZKPJLD-TYXQHUSDSA-N. The full InChI is InChI=1S/C24H39NO2/c1-15(21(26)14-22(25)27)18-9-10-19-17-8-7-16-6-4-5-12-23(16,2)20(17)11-13-24(18,19)3/h4-5,15-21,26H,6-14H2,1-3H3,(H2,25,27)/t15-,16?,17-,18+,19-,20-,21?,23-,24+/m0/s1.
What are the key properties of (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide?
(4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide has a molecular weight of 373.58 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxypentanamide is sourced from PubChem (CID 121272833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).