2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide

C15H23FN2O2 — CID 111564959

IUPAC2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H23FN2O2/c1-3-4-7-18(10-15(17)20)9-14(19)13-6-5-12(16)8-11(13)2/h5-6,8,14,19H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyRGOXTFWTJLFYJM-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.75
Rot. Bonds8

About 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide

2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide (PubChem CID 111564959) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
PubChem CID111564959
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C15H23FN2O2/c1-3-4-7-18(10-15(17)20)9-14(19)13-6-5-12(16)8-11(13)2/h5-6,8,14,19H,3-4,7,9-10H2,1-2H3,(H2,17,20)
InChIKeyRGOXTFWTJLFYJM-UHFFFAOYSA-N
XLogP1.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
CID 62265584
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide (CID 111564959) is 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide is CCCCN(CC(N)=O)CC(O)c1ccc(F)cc1C.
What is the InChIKey of 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide?
The InChIKey is RGOXTFWTJLFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-4-7-18(10-15(17)20)9-14(19)13-6-5-12(16)8-11(13)2/h5-6,8,14,19H,3-4,7,9-10H2,1-2H3,(H2,17,20).
What are the key properties of 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide?
2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide is sourced from PubChem (CID 111564959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).