N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride

C16H26Cl2FN3O2 — CID 119630100

IUPACN-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H24FN3O2.2ClH/c1-16(2,18)11-19-15(21)14(20-6-8-22-9-7-20)12-4-3-5-13(17)10-12;;/h3-5,10,14H,6-9,11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPHLXHSWUMFBFEW-UHFFFAOYSA-N
MW382.31 g/mol
LogP1.90
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride

N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride (PubChem CID 119630100) has the molecular formula C16H26Cl2FN3O2 and a molecular weight of 382.31 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
PubChem CID119630100
Molecular FormulaC16H26Cl2FN3O2
Molecular Weight382.31 g/mol
Exact Mass381.14
IUPAC NameN-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H24FN3O2.2ClH/c1-16(2,18)11-19-15(21)14(20-6-8-22-9-7-20)12-4-3-5-13(17)10-12;;/h3-5,10,14H,6-9,11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPHLXHSWUMFBFEW-UHFFFAOYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
(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
methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117243295
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride (CID 119630100) is N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride is CC(C)(N)CNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The InChIKey is PHLXHSWUMFBFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2.2ClH/c1-16(2,18)11-19-15(21)14(20-6-8-22-9-7-20)12-4-3-5-13(17)10-12;;/h3-5,10,14H,6-9,11,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride has a molecular weight of 382.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119630100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).