(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide

C15H23FN2O2 — CID 97203477

IUPAC(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-9-18(10-11-19)15(20)14(17(2)3)12-7-5-6-8-13(12)16/h5-8,14,19H,4,9-11H2,1-3H3/t14-/m0/s1
InChIKeyUHSYLTVJLXNWNO-AWEZNQCLSA-N
MW282.36 g/mol
LogP1.66
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 97203477) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID97203477
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-9-18(10-11-19)15(20)14(17(2)3)12-7-5-6-8-13(12)16/h5-8,14,19H,4,9-11H2,1-3H3/t14-/m0/s1
InChIKeyUHSYLTVJLXNWNO-AWEZNQCLSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
1-(2-fluorophenyl)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide (CID 97203477) is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)[C@H](c1ccccc1F)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is UHSYLTVJLXNWNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-9-18(10-11-19)15(20)14(17(2)3)12-7-5-6-8-13(12)16/h5-8,14,19H,4,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide?
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 282.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 97203477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).