(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide

C24H38N2O2 — CID 57320238

IUPAC(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide
SMILES[H]/N=C1\C(=O)C(C(=O)NC(C)(C)C)C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C24H38N2O2/c1-22(2,3)26-21(28)15-13-24(5)17-10-12-23(4)11-6-7-16(23)14(17)8-9-18(24)19(25)20(15)27/h14-18,25H,6-13H2,1-5H3,(H,26,28)/b25-19-/t14-,15?,16-,17+,18?,23-,24+/m0/s1
InChIKeyUXVWPFITXOCBHP-RHEYBVKTSA-N
MW386.58 g/mol
LogP4.76
Rot. Bonds1

About (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide

(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide (PubChem CID 57320238) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide.

Molecular Properties

Compound Name(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide
PubChem CID57320238
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide
SMILES[H]/N=C1\C(=O)C(C(=O)NC(C)(C)C)C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C24H38N2O2/c1-22(2,3)26-21(28)15-13-24(5)17-10-12-23(4)11-6-7-16(23)14(17)8-9-18(24)19(25)20(15)27/h14-18,25H,6-13H2,1-5H3,(H,26,28)/b25-19-/t14-,15?,16-,17+,18?,23-,24+/m0/s1
InChIKeyUXVWPFITXOCBHP-RHEYBVKTSA-N
XLogP4.76
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-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 (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide?
The IUPAC name of (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide (CID 57320238) is (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide.
What is the SMILES notation for (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide?
The canonical SMILES for (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide is [H]/N=C1\C(=O)C(C(=O)NC(C)(C)C)C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide?
The InChIKey is UXVWPFITXOCBHP-RHEYBVKTSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-22(2,3)26-21(28)15-13-24(5)17-10-12-23(4)11-6-7-16(23)14(17)8-9-18(24)19(25)20(15)27/h14-18,25H,6-13H2,1-5H3,(H,26,28)/b25-19-/t14-,15?,16-,17+,18?,23-,24+/m0/s1.
What are the key properties of (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide?
(8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 4.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10R,13S,14S)-N-tert-butyl-4-imino-10,13-dimethyl-3-oxo-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxamide is sourced from PubChem (CID 57320238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).