N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide

C23H28F3NO2 — CID 135022570

IUPACN-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C23H28F3NO2/c1-13(28)27-20(12-23(24,25)26)15-4-5-16-14(11-15)3-6-18-17(16)9-10-22(2)19(18)7-8-21(22)29/h4-5,11,17-20H,3,6-10,12H2,1-2H3,(H,27,28)/t17-,18-,19+,20?,22+/m1/s1
InChIKeyFYCRNHDUSOJOIF-BEIJKFFHSA-N
MW407.48 g/mol
LogP5.24
Rot. Bonds3

About N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide

N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide (PubChem CID 135022570) has the molecular formula C23H28F3NO2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide
PubChem CID135022570
Molecular FormulaC23H28F3NO2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide
SMILESCC(=O)NC(CC(F)(F)F)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C23H28F3NO2/c1-13(28)27-20(12-23(24,25)26)15-4-5-16-14(11-15)3-6-18-17(16)9-10-22(2)19(18)7-8-21(22)29/h4-5,11,17-20H,3,6-10,12H2,1-2H3,(H,27,28)/t17-,18-,19+,20?,22+/m1/s1
InChIKeyFYCRNHDUSOJOIF-BEIJKFFHSA-N
XLogP5.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide with MolForge

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Related Compounds

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Pnu-157706
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CID 11295434
N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-2-[4-(trifluoromethyl)phenyl]acetamide
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N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
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(1R,5R,9S,13S)-5,9,13-trimethyl-N-[(4-methylphenyl)methyl]-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
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(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-dihydro-1H-inden-2-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44573537
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopentanecarboxamide
CID 44573538
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 72703068
trans-(1S,2S)-5,5-difluoro-2-phenyl-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide
CID 145990268
2-(4,4-dimethyl-2,6-dioxocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4215149
(1R,5R,9S,13S)-N-benzyl-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide?
The IUPAC name of N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide (CID 135022570) is N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide.
What is the SMILES notation for N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide?
The canonical SMILES for N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide is CC(=O)NC(CC(F)(F)F)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.
What is the InChIKey of N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide?
The InChIKey is FYCRNHDUSOJOIF-BEIJKFFHSA-N. The full InChI is InChI=1S/C23H28F3NO2/c1-13(28)27-20(12-23(24,25)26)15-4-5-16-14(11-15)3-6-18-17(16)9-10-22(2)19(18)7-8-21(22)29/h4-5,11,17-20H,3,6-10,12H2,1-2H3,(H,27,28)/t17-,18-,19+,20?,22+/m1/s1.
What are the key properties of N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide?
N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide is sourced from PubChem (CID 135022570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).