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

C16H26Cl2FN3O2 — CID 119499108

IUPACN-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
SMILESCC(N)CCNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H24FN3O2.2ClH/c1-12(18)5-6-19-16(21)15(20-7-9-22-10-8-20)13-3-2-4-14(17)11-13;;/h2-4,11-12,15H,5-10,18H2,1H3,(H,19,21);2*1H
InChIKeyBOZJTTOGTPRYNV-UHFFFAOYSA-N
MW382.31 g/mol
LogP1.90
Rot. Bonds6

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

N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride (PubChem CID 119499108) has the molecular formula C16H26Cl2FN3O2 and a molecular weight of 382.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
PubChem CID119499108
Molecular FormulaC16H26Cl2FN3O2
Molecular Weight382.31 g/mol
Exact Mass381.14
IUPAC NameN-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
SMILESCC(N)CCNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H24FN3O2.2ClH/c1-12(18)5-6-19-16(21)15(20-7-9-22-10-8-20)13-3-2-4-14(17)11-13;;/h2-4,11-12,15H,5-10,18H2,1H3,(H,19,21);2*1H
InChIKeyBOZJTTOGTPRYNV-UHFFFAOYSA-N
XLogP1.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
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-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methylphenyl)methyl]urea
CID 60592552

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride (CID 119499108) is N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride is CC(N)CCNC(=O)C(c1cccc(F)c1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
The InChIKey is BOZJTTOGTPRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2.2ClH/c1-12(18)5-6-19-16(21)15(20-7-9-22-10-8-20)13-3-2-4-14(17)11-13;;/h2-4,11-12,15H,5-10,18H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride?
N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride has a molecular weight of 382.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119499108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).