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

C24H37NO2 — CID 57163421

IUPAC(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
SMILESCCN(CC)C(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C24H37NO2/c1-5-25(6-2)22(27)21-10-9-19-18-8-7-16-15-17(26)11-13-23(16,3)20(18)12-14-24(19,21)4/h15,18-21H,5-14H2,1-4H3/t18-,19-,20+,21?,23-,24-/m0/s1
InChIKeyVWUSEJQEGXLXIO-JXPZMUTJSA-N
MW371.57 g/mol
LogP5.00
Rot. Bonds3

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

(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 57163421) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
PubChem CID57163421
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
SMILESCCN(CC)C(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C24H37NO2/c1-5-25(6-2)22(27)21-10-9-19-18-8-7-16-15-17(26)11-13-23(16,3)20(18)12-14-24(19,21)4/h15,18-21H,5-14H2,1-4H3/t18-,19-,20+,21?,23-,24-/m0/s1
InChIKeyVWUSEJQEGXLXIO-JXPZMUTJSA-N
XLogP5.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide (CID 57163421) is (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide is CCN(CC)C(=O)C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C.
What is the InChIKey of (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is VWUSEJQEGXLXIO-JXPZMUTJSA-N. The full InChI is InChI=1S/C24H37NO2/c1-5-25(6-2)22(27)21-10-9-19-18-8-7-16-15-17(26)11-13-23(16,3)20(18)12-14-24(19,21)4/h15,18-21H,5-14H2,1-4H3/t18-,19-,20+,21?,23-,24-/m0/s1.
What are the key properties of (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide?
(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 371.57 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 57163421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).