(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide

C10H19FN2O2 — CID 126793875

IUPAC(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
SMILESCC(F)CCNC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C10H19FN2O2/c1-8(11)3-4-12-10(14)13-5-6-15-9(2)7-13/h8-9H,3-7H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyLCUNIGNJPRNOFK-GKAPJAKFSA-N
MW218.27 g/mol
LogP1.16
Rot. Bonds3

About (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide

(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide (PubChem CID 126793875) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
PubChem CID126793875
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
SMILESCC(F)CCNC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C10H19FN2O2/c1-8(11)3-4-12-10(14)13-5-6-15-9(2)7-13/h8-9H,3-7H2,1-2H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyLCUNIGNJPRNOFK-GKAPJAKFSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
N-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N-(3-fluoropropyl)-3-methoxypiperidine-1-carboxamide
CID 75439641
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
1-(2-((Cis)-2,6-dimethylmorpholin-4-yl)ethyl)imidazolidin-2-one
CID 56773839
4-methoxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 145915642
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 2904482
N-(2-methylpropyl)morpholine-4-carboxamide
CID 3410823
(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
CID 75502454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide (CID 126793875) is (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide is CC(F)CCNC(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is LCUNIGNJPRNOFK-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-8(11)3-4-12-10(14)13-5-6-15-9(2)7-13/h8-9H,3-7H2,1-2H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide?
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 218.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 126793875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).