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

C23H24F6N2O2 — CID 20774467

IUPAC1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(N)CC(COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1
InChIInChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)
InChIKeyOHDQKQGDHONPAR-UHFFFAOYSA-N
MW474.45 g/mol
LogP4.98
Rot. Bonds6

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

1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide (PubChem CID 20774467) has the molecular formula C23H24F6N2O2 and a molecular weight of 474.45 g/mol. Its IUPAC name is 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide
PubChem CID20774467
Molecular FormulaC23H24F6N2O2
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC Name1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(N)CC(COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1
InChIInChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)
InChIKeyOHDQKQGDHONPAR-UHFFFAOYSA-N
XLogP4.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide (CID 20774467) is 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide is CNC(=O)C1(N)CC(COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1.
What is the InChIKey of 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide?
The InChIKey is OHDQKQGDHONPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32).
What are the key properties of 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide?
1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-3-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 20774467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).