(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide

C16H23FN2O2 — CID 98888148

IUPAC(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN([C@H](C)CCc2cccc(F)c2)C[C@H](C(N)=O)O1
InChIInChI=1S/C16H23FN2O2/c1-11(6-7-13-4-3-5-14(17)8-13)19-9-12(2)21-15(10-19)16(18)20/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H2,18,20)/t11-,12-,15-/m1/s1
InChIKeyHXTRVNDAGZZWNV-LALPHHSUSA-N
MW294.37 g/mol
LogP1.72
Rot. Bonds5

About (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide (PubChem CID 98888148) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide
PubChem CID98888148
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN([C@H](C)CCc2cccc(F)c2)C[C@H](C(N)=O)O1
InChIInChI=1S/C16H23FN2O2/c1-11(6-7-13-4-3-5-14(17)8-13)19-9-12(2)21-15(10-19)16(18)20/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H2,18,20)/t11-,12-,15-/m1/s1
InChIKeyHXTRVNDAGZZWNV-LALPHHSUSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
CID 98891679
1-[4-[4-(3-fluorophenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 75520090
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
CID 60502228
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
3-(3,4-difluorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 46480844
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-(3-fluorophenyl)butan-2-yl]-4-methylsulfonyl-1,4-diazepane
CID 86787373
tert-butyl 2-[4-(3-fluorophenyl)butan-2-yl]pyrazolidine-1-carboxylate
CID 119040774
3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide (CID 98888148) is (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN([C@H](C)CCc2cccc(F)c2)C[C@H](C(N)=O)O1.
What is the InChIKey of (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide?
The InChIKey is HXTRVNDAGZZWNV-LALPHHSUSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(6-7-13-4-3-5-14(17)8-13)19-9-12(2)21-15(10-19)16(18)20/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H2,18,20)/t11-,12-,15-/m1/s1.
What are the key properties of (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 98888148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).