N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide

C22H22F6N2O3 — CID 10277212

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C22H22F6N2O3/c23-21(24,25)20(32,22(26,27)28)17-6-8-18(9-7-17)30(11-10-16-4-2-1-3-5-16)19(31)29-12-14-33-15-13-29/h1-9,32H,10-15H2
InChIKeyRYZQCXZUKJQLBT-UHFFFAOYSA-N
MW476.42 g/mol
LogP4.50
Rot. Bonds5

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 10277212) has the molecular formula C22H22F6N2O3 and a molecular weight of 476.42 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID10277212
Molecular FormulaC22H22F6N2O3
Molecular Weight476.42 g/mol
Exact Mass476.15
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C22H22F6N2O3/c23-21(24,25)20(32,22(26,27)28)17-6-8-18(9-7-17)30(11-10-16-4-2-1-3-5-16)19(31)29-12-14-33-15-13-29/h1-9,32H,10-15H2
InChIKeyRYZQCXZUKJQLBT-UHFFFAOYSA-N
XLogP4.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide (CID 10277212) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide is O=C(N1CCOCC1)N(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is RYZQCXZUKJQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N2O3/c23-21(24,25)20(32,22(26,27)28)17-6-8-18(9-7-17)30(11-10-16-4-2-1-3-5-16)19(31)29-12-14-33-15-13-29/h1-9,32H,10-15H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 476.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 10277212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).