(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

C23H37NO2 — CID 164609221

IUPAC(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H37NO2/c1-14(2)24-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-22(15,3)19(17)10-12-23(18,20)4/h5,14,16-20,25H,6-13H2,1-4H3,(H,24,26)/t16-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKeyPZCYCVDGVOPKEK-MTMZYOSNSA-N
MW359.55 g/mol
LogP4.45
Rot. Bonds2

About (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 164609221) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
PubChem CID164609221
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H37NO2/c1-14(2)24-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-22(15,3)19(17)10-12-23(18,20)4/h5,14,16-20,25H,6-13H2,1-4H3,(H,24,26)/t16-,17-,18-,19-,20+,22-,23-/m0/s1
InChIKeyPZCYCVDGVOPKEK-MTMZYOSNSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide 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 (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (CID 164609221) is (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is PZCYCVDGVOPKEK-MTMZYOSNSA-N. The full InChI is InChI=1S/C23H37NO2/c1-14(2)24-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-22(15,3)19(17)10-12-23(18,20)4/h5,14,16-20,25H,6-13H2,1-4H3,(H,24,26)/t16-,17-,18-,19-,20+,22-,23-/m0/s1.
What are the key properties of (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 359.55 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-N-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 164609221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).