(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

C16H21F3N2O3 — CID 155507572

IUPAC(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C[C@H]1N
InChIInChI=1S/C16H21F3N2O3/c1-23-14-7-6-10(8-12(14)20)15(22)21-9-11-4-2-3-5-13(11)24-16(17,18)19/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22)/t10-,12+,14+/m0/s1
InChIKeyIMQJOMVITSMEHS-ZKYQVNSYSA-N
MW346.35 g/mol
LogP2.34
Rot. Bonds5

About (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 155507572) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID155507572
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C[C@H]1N
InChIInChI=1S/C16H21F3N2O3/c1-23-14-7-6-10(8-12(14)20)15(22)21-9-11-4-2-3-5-13(11)24-16(17,18)19/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22)/t10-,12+,14+/m0/s1
InChIKeyIMQJOMVITSMEHS-ZKYQVNSYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (CID 155507572) is (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is CO[C@@H]1CC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C[C@H]1N.
What is the InChIKey of (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is IMQJOMVITSMEHS-ZKYQVNSYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-14-7-6-10(8-12(14)20)15(22)21-9-11-4-2-3-5-13(11)24-16(17,18)19/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22)/t10-,12+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155507572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).