(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

C15H21FN2O3 — CID 120931537

IUPAC(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCOCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-10-14(17-5-6-21-10)15(19)18-8-11-3-4-13(16)12(7-11)9-20-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyNQWVFSIVHSERJS-YGRLFVJLSA-N
MW296.34 g/mol
LogP0.97
Rot. Bonds5

About (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120931537) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120931537
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCOCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-10-14(17-5-6-21-10)15(19)18-8-11-3-4-13(16)12(7-11)9-20-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyNQWVFSIVHSERJS-YGRLFVJLSA-N
XLogP0.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120935119
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922648
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120931537) is (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is COCc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)ccc1F.
What is the InChIKey of (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is NQWVFSIVHSERJS-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-14(17-5-6-21-10)15(19)18-8-11-3-4-13(16)12(7-11)9-20-2/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120931537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).