1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide

C22H22F6N2O2 — CID 10173890

IUPAC1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide
SMILESC[C@@H](OCC1(c2ccccc2)CC(N)(C(N)=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19?,20?/m1/s1
InChIKeyGLMYRENDOZHTSS-JYMLRBTQSA-N
MW460.42 g/mol
LogP4.72
Rot. Bonds6

About 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide

1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide (PubChem CID 10173890) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide
PubChem CID10173890
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide
SMILESC[C@@H](OCC1(c2ccccc2)CC(N)(C(N)=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19?,20?/m1/s1
InChIKeyGLMYRENDOZHTSS-JYMLRBTQSA-N
XLogP4.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-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

cis-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-N-methyl-3-phenylcyclobutanecarboxamide
CID 10151946
trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutyl)(piperidin-1-yl)methanone
CID 10218122
trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-N,N-dimethyl-3-phenylcyclobutanecarboxamide
CID 10239000
trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutyl)(pyrrolidin-1-yl)methanone
CID 10239346
(+/-)-trans-3-(3,5-Bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentanecarboxamide
CID 44415435
2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-cyclohexyl]-acetamide
CID 10027219
2-[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclohexyl]acetamide
CID 9825431
2-[(1S,2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclohexyl]acetamide
CID 44276856
1-Amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-phenylcyclobutane-1-carboxamide
CID 20774460
1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide
CID 20774467
2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxymethyl]-2-phenyl-5,7-diazaspiro[3.4]oct-5-en-8-one
CID 20774479
2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxymethyl]-2-phenyl-5,7-diazaspiro[3.4]octan-8-one
CID 20774481

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide (CID 10173890) is 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide is C[C@@H](OCC1(c2ccccc2)CC(N)(C(N)=O)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide?
The InChIKey is GLMYRENDOZHTSS-JYMLRBTQSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19?,20?/m1/s1.
What are the key properties of 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide?
1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 10173890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).