(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide

C15H21FN2O3 — CID 120928774

IUPAC(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-9(2)21-11-4-5-13(12(16)8-11)18-15(19)14-10(3)20-7-6-17-14/h4-5,8-10,14,17H,6-7H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyWUYQVAZXZSCEDY-YGRLFVJLSA-N
MW296.34 g/mol
LogP1.93
Rot. Bonds4

About (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120928774) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120928774
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-9(2)21-11-4-5-13(12(16)8-11)18-15(19)14-10(3)20-7-6-17-14/h4-5,8-10,14,17H,6-7H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyWUYQVAZXZSCEDY-YGRLFVJLSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918516
(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930349
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide (CID 120928774) is (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide is CC(C)Oc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)c1.
What is the InChIKey of (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is WUYQVAZXZSCEDY-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-9(2)21-11-4-5-13(12(16)8-11)18-15(19)14-10(3)20-7-6-17-14/h4-5,8-10,14,17H,6-7H2,1-3H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).