cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C17H28F3NO2 — CID 99810207

IUPACcis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C17H28F3NO2/c1-5-23-14-10-13(16(14,2)3)21(4)15(22)11-7-6-8-12(9-11)17(18,19)20/h11-14H,5-10H2,1-4H3/t11-,12+,13+,14-/m1/s1
InChIKeyCOKKROBPINNDRC-ZOBORPQBSA-N
MW335.41 g/mol
LogP4.02
Rot. Bonds4

About cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 99810207) has the molecular formula C17H28F3NO2 and a molecular weight of 335.41 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID99810207
Molecular FormulaC17H28F3NO2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Namecis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C17H28F3NO2/c1-5-23-14-10-13(16(14,2)3)21(4)15(22)11-7-6-8-12(9-11)17(18,19)20/h11-14H,5-10H2,1-4H3/t11-,12+,13+,14-/m1/s1
InChIKeyCOKKROBPINNDRC-ZOBORPQBSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 90554694
cis-(1R,3S)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 99810278
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102557917
N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102557937
cis-(1S,3R)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124727105
trans-(1S,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124727106
trans-(1R,3R)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124727107
trans-(1R,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124858394
cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124858395
trans-(1S,3S)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124858396
2-cyclopentyl-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810239
2-cyclopentyl-N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810240

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 99810207) is cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1(C)C.
What is the InChIKey of cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is COKKROBPINNDRC-ZOBORPQBSA-N. The full InChI is InChI=1S/C17H28F3NO2/c1-5-23-14-10-13(16(14,2)3)21(4)15(22)11-7-6-8-12(9-11)17(18,19)20/h11-14H,5-10H2,1-4H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 99810207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).