N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C17H22F3NO3 — CID 111596715

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H22F3NO3/c1-4-21(10-16(2,3)23)15(22)13-9-12(13)11-7-5-6-8-14(11)24-17(18,19)20/h5-8,12-13,23H,4,9-10H2,1-3H3
InChIKeyXADLKXGROBUNNX-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 111596715) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID111596715
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H22F3NO3/c1-4-21(10-16(2,3)23)15(22)13-9-12(13)11-7-5-6-8-14(11)24-17(18,19)20/h5-8,12-13,23H,4,9-10H2,1-3H3
InChIKeyXADLKXGROBUNNX-UHFFFAOYSA-N
XLogP3.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 111596715) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CCN(CC(C)(C)O)C(=O)C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XADLKXGROBUNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-4-21(10-16(2,3)23)15(22)13-9-12(13)11-7-5-6-8-14(11)24-17(18,19)20/h5-8,12-13,23H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).