N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide

C21H35F2NO3Si — CID 159319590

IUPACN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(F)c1F)[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35F2NO3Si/c1-21(2,3)28(5,6)27-15-17(10-8-14-25)24(4)19(26)13-12-16-9-7-11-18(22)20(16)23/h7,9,11,17,25H,8,10,12-15H2,1-6H3/t17-/m0/s1
InChIKeySDGMSLULOWODNO-KRWDZBQOSA-N
MW415.60 g/mol
LogP4.52
Rot. Bonds10

About N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide

N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide (PubChem CID 159319590) has the molecular formula C21H35F2NO3Si and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide
PubChem CID159319590
Molecular FormulaC21H35F2NO3Si
Molecular Weight415.60 g/mol
Exact Mass415.24
IUPAC NameN-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(F)c1F)[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35F2NO3Si/c1-21(2,3)28(5,6)27-15-17(10-8-14-25)24(4)19(26)13-12-16-9-7-11-18(22)20(16)23/h7,9,11,17,25H,8,10,12-15H2,1-6H3/t17-/m0/s1
InChIKeySDGMSLULOWODNO-KRWDZBQOSA-N
XLogP4.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S)-4-[3-(2,3-difluorophenyl)propanoyl-methylamino]-5-hydroxypentanoate
CID 159650637
[(2S)-2-[3-(2,3-difluorophenyl)propanoyl-methylamino]-6-hydroxyhexyl] N-(6-fluoroisoquinolin-3-yl)carbamate
CID 152940893
[(2S)-2-[3-(2,3-difluorophenyl)propanoyl-methylamino]-6-hydroxy-6-methylheptyl] N-isoquinolin-3-ylcarbamate
CID 157093567
[(2S)-5-amino-2-[3-(2,3-difluorophenyl)propanoyl-methylamino]pentyl] N-isoquinolin-3-ylcarbamate
CID 158113513
[(2S)-2-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-5-hydroxypentyl] N-isoquinolin-3-ylcarbamate;methyl (4S)-4-[3-(2-chloro-3-fluorophenyl)propanoyl-methylamino]-5-(isoquinolin-3-ylcarbamoyloxy)pentanoate
CID 162184968
[(4S)-4-[3-(2,3-difluorophenyl)propanoyl-methylamino]-5-[(6-fluoroisoquinolin-3-yl)carbamoyloxy]pentyl]imino-iminoazanium
CID 158122888
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorobenzaldehyde;tert-butyl-[2-(2-fluorophenyl)ethoxy]-dimethylsilane
CID 162069772
[(2S)-5-amino-2-[3-(2,3-difluorophenyl)propanoyl-methylamino]-4,4-difluoropentyl] N-isoquinolin-3-ylcarbamate
CID 159087384
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
2-[butan-2-yl-[3-(2,3-difluorophenyl)propanoyl]amino]acetic acid
CID 119955243

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide (CID 159319590) is N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide is CN(C(=O)CCc1cccc(F)c1F)[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide?
The InChIKey is SDGMSLULOWODNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H35F2NO3Si/c1-21(2,3)28(5,6)27-15-17(10-8-14-25)24(4)19(26)13-12-16-9-7-11-18(22)20(16)23/h7,9,11,17,25H,8,10,12-15H2,1-6H3/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide?
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide has a molecular weight of 415.60 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]-3-(2,3-difluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 159319590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).