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

C28H43N3O3 — CID 67696089

IUPAC(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide
SMILESCC(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C28H43N3O3/c1-16(2)30-26(34)31(17(3)4)25(33)23-10-9-21-20-8-7-19-15-18(24(29)32)11-13-27(19,5)22(20)12-14-28(21,23)6/h7,15-17,20-23H,8-14H2,1-6H3,(H2,29,32)(H,30,34)/t20-,21-,22-,23+,27-,28-/m0/s1
InChIKeyKWMZKMZCXZQBGS-GNUVGTJFSA-N
MW469.67 g/mol
LogP4.94
Rot. Bonds4

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

(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide (PubChem CID 67696089) has the molecular formula C28H43N3O3 and a molecular weight of 469.67 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide.

Molecular Properties

Compound Name(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide
PubChem CID67696089
Molecular FormulaC28H43N3O3
Molecular Weight469.67 g/mol
Exact Mass469.33
IUPAC Name(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide
SMILESCC(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C28H43N3O3/c1-16(2)30-26(34)31(17(3)4)25(33)23-10-9-21-20-8-7-19-15-18(24(29)32)11-13-27(19,5)22(20)12-14-28(21,23)6/h7,15-17,20-23H,8-14H2,1-6H3,(H2,29,32)(H,30,34)/t20-,21-,22-,23+,27-,28-/m0/s1
InChIKeyKWMZKMZCXZQBGS-GNUVGTJFSA-N
XLogP4.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide 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

(8S,9R,10R,13S,14S)-10,13-dimethyl-3-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 57252676
(10R,13S,17S)-10,13-dimethyl-17-(methylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 147162870
methyl (8S,9S,10R,13S,14S,17S)-17-(3-hydroxybutan-2-ylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 54333939
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(4,4,4-trifluoro-3-hydroxybutan-2-yl)carbamoyl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 67802686
(17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 122130323
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 54001038
methyl (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 10938569
(8R,9R,10R,13S,14S)-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 67926883
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2,2,2-trifluoroethylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 67744640
methyl (8S,9S,10R,13S,14S,17S)-17-benzoyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 15036063
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2,2,2-trifluoro-1-phenylethyl)carbamoyl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 67744646
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylpropan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
CID 15380258

Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide?
The IUPAC name of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide (CID 67696089) is (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide.
What is the SMILES notation for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide?
The canonical SMILES for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide is CC(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C.
What is the InChIKey of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide?
The InChIKey is KWMZKMZCXZQBGS-GNUVGTJFSA-N. The full InChI is InChI=1S/C28H43N3O3/c1-16(2)30-26(34)31(17(3)4)25(33)23-10-9-21-20-8-7-19-15-18(24(29)32)11-13-27(19,5)22(20)12-14-28(21,23)6/h7,15-17,20-23H,8-14H2,1-6H3,(H2,29,32)(H,30,34)/t20-,21-,22-,23+,27-,28-/m0/s1.
What are the key properties of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide?
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide has a molecular weight of 469.67 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-N-propan-2-yl-17-N-(propan-2-ylcarbamoyl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dicarboxamide is sourced from PubChem (CID 67696089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).