(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide

C14H19FN2O3 — CID 120926803

IUPAC(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1F
InChIInChI=1S/C14H19FN2O3/c1-3-19-12-5-4-10(8-11(12)15)17-14(18)13-9(2)20-7-6-16-13/h4-5,8-9,13,16H,3,6-7H2,1-2H3,(H,17,18)/t9-,13+/m1/s1
InChIKeyQIKQBSQIEVNDFL-RNCFNFMXSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds4

About (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120926803) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120926803
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1F
InChIInChI=1S/C14H19FN2O3/c1-3-19-12-5-4-10(8-11(12)15)17-14(18)13-9(2)20-7-6-16-13/h4-5,8-9,13,16H,3,6-7H2,1-2H3,(H,17,18)/t9-,13+/m1/s1
InChIKeyQIKQBSQIEVNDFL-RNCFNFMXSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120923488
(2R,3S)-N-(3,5-difluoro-4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929742
(2R,3S)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2-methylmorpholine-3-carboxamide
CID 120934412
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120925527
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide (CID 120926803) is (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide is CCOc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1F.
What is the InChIKey of (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is QIKQBSQIEVNDFL-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-19-12-5-4-10(8-11(12)15)17-14(18)13-9(2)20-7-6-16-13/h4-5,8-9,13,16H,3,6-7H2,1-2H3,(H,17,18)/t9-,13+/m1/s1.
What are the key properties of (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120926803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).