(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide

C26H33NO2 — CID 150206366

IUPAC(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C(C(N)=O)(c1ccccc1)CC2
InChIInChI=1S/C26H33NO2/c1-24-12-11-21-20(9-8-18-16-19(28)10-13-25(18,21)2)22(24)26(15-14-24,23(27)29)17-6-4-3-5-7-17/h3-7,16,20-22H,8-15H2,1-2H3,(H2,27,29)/t20-,21+,22+,24-,25+,26?/m1/s1
InChIKeyFQOMHYRCISWSGI-VNSFGZEOSA-N
MW391.56 g/mol
LogP4.94
Rot. Bonds2

About (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide

(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide (PubChem CID 150206366) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide.

Molecular Properties

Compound Name(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide
PubChem CID150206366
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C(C(N)=O)(c1ccccc1)CC2
InChIInChI=1S/C26H33NO2/c1-24-12-11-21-20(9-8-18-16-19(28)10-13-25(18,21)2)22(24)26(15-14-24,23(27)29)17-6-4-3-5-7-17/h3-7,16,20-22H,8-15H2,1-2H3,(H2,27,29)/t20-,21+,22+,24-,25+,26?/m1/s1
InChIKeyFQOMHYRCISWSGI-VNSFGZEOSA-N
XLogP4.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S,4S,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
CID 56840836
(1R,2R,4R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
CID 154701534
(8S,9R,10R,13R,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 57440560
(8S,10S,13R)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 144685562
(8R,9S,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 12502771
(8S,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163070290
(8S,9R,10S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 71200542
(8S,9R,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 7059605
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163196495
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 5994
(8R,9S,10R,13R,14S)-10,13-dimethyl-15-nitro-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 154095388
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbonyl chloride
CID 11727386

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide?
The IUPAC name of (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide (CID 150206366) is (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide.
What is the SMILES notation for (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide?
The canonical SMILES for (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide is C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C(C(N)=O)(c1ccccc1)CC2.
What is the InChIKey of (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide?
The InChIKey is FQOMHYRCISWSGI-VNSFGZEOSA-N. The full InChI is InChI=1S/C26H33NO2/c1-24-12-11-21-20(9-8-18-16-19(28)10-13-25(18,21)2)22(24)26(15-14-24,23(27)29)17-6-4-3-5-7-17/h3-7,16,20-22H,8-15H2,1-2H3,(H2,27,29)/t20-,21+,22+,24-,25+,26?/m1/s1.
What are the key properties of (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide?
(8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10R,13R,14S)-10,13-dimethyl-3-oxo-15-phenyl-2,6,7,8,9,11,12,14,16,17-decahydro-1H-cyclopenta[a]phenanthrene-15-carboxamide is sourced from PubChem (CID 150206366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).