2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide

C13H20FN3O2 — CID 63760310

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCOCC(N)CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H20FN3O2/c1-17(7-11(15)9-19-2)8-13(18)16-12-5-3-10(14)4-6-12/h3-6,11H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyROWPRVFNECIJKK-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.67
Rot. Bonds7

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 63760310) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID63760310
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCOCC(N)CN(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H20FN3O2/c1-17(7-11(15)9-19-2)8-13(18)16-12-5-3-10(14)4-6-12/h3-6,11H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyROWPRVFNECIJKK-UHFFFAOYSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methylphenyl)acetamide
CID 55242966
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
CID 63761523
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide (CID 63760310) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide is COCC(N)CN(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is ROWPRVFNECIJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-17(7-11(15)9-19-2)8-13(18)16-12-5-3-10(14)4-6-12/h3-6,11H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 269.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63760310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).