N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C22H23F6NO3 — CID 57051124

IUPACN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H23F6NO3/c1-20(2,3)32-29(14-30)19(16-7-5-4-6-8-16)13-31-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11,14,19H,12-13H2,1-3H3
InChIKeyUMLUOJQHCVRDHB-UHFFFAOYSA-N
MW463.42 g/mol
LogP6.17
Rot. Bonds8

About N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57051124) has the molecular formula C22H23F6NO3 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57051124
Molecular FormulaC22H23F6NO3
Molecular Weight463.42 g/mol
Exact Mass463.16
IUPAC NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H23F6NO3/c1-20(2,3)32-29(14-30)19(16-7-5-4-6-8-16)13-31-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11,14,19H,12-13H2,1-3H3
InChIKeyUMLUOJQHCVRDHB-UHFFFAOYSA-N
XLogP6.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57051124) is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is UMLUOJQHCVRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6NO3/c1-20(2,3)32-29(14-30)19(16-7-5-4-6-8-16)13-31-12-15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 463.42 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57051124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).