N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide

C17H22FN3O2 — CID 119041162

IUPACN-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCCN(CCC#N)C(=O)CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FN3O2/c1-2-21(9-3-8-19)17(22)13-20-10-11-23-16(12-20)14-4-6-15(18)7-5-14/h4-7,16H,2-3,9-13H2,1H3
InChIKeySTSXOAPUCCMNAD-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.96
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide

N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide (PubChem CID 119041162) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
PubChem CID119041162
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCCN(CCC#N)C(=O)CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H22FN3O2/c1-2-21(9-3-8-19)17(22)13-20-10-11-23-16(12-20)14-4-6-15(18)7-5-14/h4-7,16H,2-3,9-13H2,1H3
InChIKeySTSXOAPUCCMNAD-UHFFFAOYSA-N
XLogP1.96
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 119041161
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 112826133
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124573621
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 124507515
N-[3-(diethylamino)-3-oxopropyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 55934228
N,N-bis(2-cyanoethyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834055
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577
N,N-bis(2-cyanoethyl)-2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 128972890
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide (CID 119041162) is N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide is CCN(CCC#N)C(=O)CN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The InChIKey is STSXOAPUCCMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-21(9-3-8-19)17(22)13-20-10-11-23-16(12-20)14-4-6-15(18)7-5-14/h4-7,16H,2-3,9-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide?
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide has a molecular weight of 319.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 119041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).