N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide

C16H20FN3O2 — CID 71998621

IUPACN-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCC(C#N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H20FN3O2/c1-12(10-18)11-19-16(21)15(20-5-7-22-8-6-20)13-3-2-4-14(17)9-13/h2-4,9,12,15H,5-8,11H2,1H3,(H,19,21)
InChIKeyHPYKZKCMRTVLMW-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.47
Rot. Bonds5

About N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide

N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide (PubChem CID 71998621) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
PubChem CID71998621
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
SMILESCC(C#N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H20FN3O2/c1-12(10-18)11-19-16(21)15(20-5-7-22-8-6-20)13-3-2-4-14(17)9-13/h2-4,9,12,15H,5-8,11H2,1H3,(H,19,21)
InChIKeyHPYKZKCMRTVLMW-UHFFFAOYSA-N
XLogP1.47
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 97077185
2-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 71912984
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
CID 125134200
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide (CID 71998621) is N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide is CC(C#N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is HPYKZKCMRTVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12(10-18)11-19-16(21)15(20-5-7-22-8-6-20)13-3-2-4-14(17)9-13/h2-4,9,12,15H,5-8,11H2,1H3,(H,19,21).
What are the key properties of N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide?
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 305.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 71998621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).