3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide

C16H21F3N2O3 — CID 91660761

IUPAC3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3/c1-11(22)7-14-10-24-6-5-21(14)15(23)20-9-12-3-2-4-13(8-12)16(17,18)19/h2-4,8,11,14,22H,5-7,9-10H2,1H3,(H,20,23)
InChIKeyYFNIKLLBWNKASQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 91660761) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID91660761
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O3/c1-11(22)7-14-10-24-6-5-21(14)15(23)20-9-12-3-2-4-13(8-12)16(17,18)19/h2-4,8,11,14,22H,5-7,9-10H2,1H3,(H,20,23)
InChIKeyYFNIKLLBWNKASQ-UHFFFAOYSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide (CID 91660761) is 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is YFNIKLLBWNKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-11(22)7-14-10-24-6-5-21(14)15(23)20-9-12-3-2-4-13(8-12)16(17,18)19/h2-4,8,11,14,22H,5-7,9-10H2,1H3,(H,20,23).
What are the key properties of 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 91660761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).