(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide

C20H32FNO4Si — CID 23815727

IUPAC(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@H]1CCc1ccc(NC(=O)[C@H](C)O)cc1
InChIInChI=1S/C20H32FNO4Si/c1-13-17(26-18(11-12-23)19(13)27(3,4)21)10-7-15-5-8-16(9-6-15)22-20(25)14(2)24/h5-6,8-9,13-14,17-19,23-24H,7,10-12H2,1-4H3,(H,22,25)/t13-,14+,17+,18-,19+/m1/s1
InChIKeyRZDODYJUXUOXIP-CZAUZLFCSA-N
MW397.56 g/mol
LogP3.27
Rot. Bonds8

About (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide

(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide (PubChem CID 23815727) has the molecular formula C20H32FNO4Si and a molecular weight of 397.56 g/mol. Its IUPAC name is (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide
PubChem CID23815727
Molecular FormulaC20H32FNO4Si
Molecular Weight397.56 g/mol
Exact Mass397.21
IUPAC Name(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide
SMILESC[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@H]1CCc1ccc(NC(=O)[C@H](C)O)cc1
InChIInChI=1S/C20H32FNO4Si/c1-13-17(26-18(11-12-23)19(13)27(3,4)21)10-7-15-5-8-16(9-6-15)22-20(25)14(2)24/h5-6,8-9,13-14,17-19,23-24H,7,10-12H2,1-4H3,(H,22,25)/t13-,14+,17+,18-,19+/m1/s1
InChIKeyRZDODYJUXUOXIP-CZAUZLFCSA-N
XLogP3.27
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]propanamide
CID 23957697
1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one
CID 23929810
4-amino-N-[4-[2-[(2S,3R,4S,5R)-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]benzamide
CID 23759564
4-amino-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]benzamide
CID 23985466
3-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23817375
4-amino-N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]benzamide
CID 23929887
N-[4-[2-[(2R,3S,4R,5S)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
CID 23846026
2-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]phthalazin-1-one
CID 23985447
(2S)-N-[(3S,3'S,4'R,5'S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23815891
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
(2S)-N-[(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
CID 23844401

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide (CID 23815727) is (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CCO)O[C@H]1CCc1ccc(NC(=O)[C@H](C)O)cc1.
What is the InChIKey of (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide?
The InChIKey is RZDODYJUXUOXIP-CZAUZLFCSA-N. The full InChI is InChI=1S/C20H32FNO4Si/c1-13-17(26-18(11-12-23)19(13)27(3,4)21)10-7-15-5-8-16(9-6-15)22-20(25)14(2)24/h5-6,8-9,13-14,17-19,23-24H,7,10-12H2,1-4H3,(H,22,25)/t13-,14+,17+,18-,19+/m1/s1.
What are the key properties of (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide?
(2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide has a molecular weight of 397.56 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-2-hydroxypropanamide is sourced from PubChem (CID 23815727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).