(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide

C14H19FN2O3 — CID 94148395

IUPAC(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C14H19FN2O3/c1-3-19-13-8-11(15)4-5-12(13)16-14(18)17-6-7-20-10(2)9-17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyKSNYEIRGDXVBQP-JTQLQIEISA-N
MW282.32 g/mol
LogP2.48
Rot. Bonds3

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

(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide (PubChem CID 94148395) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
PubChem CID94148395
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](C)C1
InChIInChI=1S/C14H19FN2O3/c1-3-19-13-8-11(15)4-5-12(13)16-14(18)17-6-7-20-10(2)9-17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyKSNYEIRGDXVBQP-JTQLQIEISA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
1-[(4-fluoro-2-propoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102573
(3aS,6aR)-2-[(2-ethoxy-4-fluorophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076626
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
CID 92633104
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)propanamide
CID 46677597
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974
1-(2-ethoxy-4-fluorophenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 55793659
N-(5-fluoro-2-pyridinyl)-2-(2-methylmorpholin-4-yl)-2-oxoacetamide
CID 136537121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide (CID 94148395) is (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide is CCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is KSNYEIRGDXVBQP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-19-13-8-11(15)4-5-12(13)16-14(18)17-6-7-20-10(2)9-17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide?
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94148395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).