(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

C17H25FN2O3 — CID 100651709

IUPAC(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C17H25FN2O3/c1-12(8-14-6-4-5-7-16(14)18)19-17(21)20-9-13(2)23-15(10-20)11-22-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,21)/t12-,13-,15+/m1/s1
InChIKeyXAKKDRJHFSXDAT-NFAWXSAZSA-N
MW324.40 g/mol
LogP2.20
Rot. Bonds5

About (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 100651709) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID100651709
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
SMILESCOC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C17H25FN2O3/c1-12(8-14-6-4-5-7-16(14)18)19-17(21)20-9-13(2)23-15(10-20)11-22-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,21)/t12-,13-,15+/m1/s1
InChIKeyXAKKDRJHFSXDAT-NFAWXSAZSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 99823805
(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 129431114
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 86955650
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066306
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
(2R,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786628
(2S,6R)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 98786627
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide (CID 100651709) is (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is COC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccccc2F)C[C@@H](C)O1.
What is the InChIKey of (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is XAKKDRJHFSXDAT-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12(8-14-6-4-5-7-16(14)18)19-17(21)20-9-13(2)23-15(10-20)11-22-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,21)/t12-,13-,15+/m1/s1.
What are the key properties of (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 100651709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).