cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C19H30F3NO2 — CID 124858395

IUPACcis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-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)C12CCCC2
InChIInChI=1S/C19H30F3NO2/c1-3-25-16-12-15(18(16)9-4-5-10-18)23(2)17(24)13-7-6-8-14(11-13)19(20,21)22/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKeyOFHRAKPDKMYADK-XUWVNRHRSA-N
MW361.45 g/mol
LogP4.55
Rot. Bonds4

About cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 124858395) has the molecular formula C19H30F3NO2 and a molecular weight of 361.45 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID124858395
Molecular FormulaC19H30F3NO2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Namecis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-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)C12CCCC2
InChIInChI=1S/C19H30F3NO2/c1-3-25-16-12-15(18(16)9-4-5-10-18)23(2)17(24)13-7-6-8-14(11-13)19(20,21)22/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+/m0/s1
InChIKeyOFHRAKPDKMYADK-XUWVNRHRSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide 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

N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 102557923
cis-(1R,3S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 99810207
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
trans-(1S,3S)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124858396
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylcyclobutanecarboxamide
CID 72126845
N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methylcyclobutanecarboxamide
CID 96096464

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 124858395) is cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-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)C12CCCC2.
What is the InChIKey of cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OFHRAKPDKMYADK-XUWVNRHRSA-N. The full InChI is InChI=1S/C19H30F3NO2/c1-3-25-16-12-15(18(16)9-4-5-10-18)23(2)17(24)13-7-6-8-14(11-13)19(20,21)22/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 124858395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).