[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate

C26H37NO5Si — CID 10814277

IUPAC[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate
SMILESCC(C)N(C(=O)c1cc(O)cc([Si](C)(C)C)c1OC(=O)[C@@H](C)[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C26H37NO5Si/c1-16(2)27(17(3)4)25(30)21-14-20(28)15-22(33(6,7)8)24(21)32-26(31)18(5)23(29)19-12-10-9-11-13-19/h9-18,23,28-29H,1-8H3/t18-,23-/m0/s1
InChIKeyNQCRDEZDPBCYQT-MBSDFSHPSA-N
MW471.67 g/mol
LogP4.47
Rot. Bonds8

About [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate

[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate (PubChem CID 10814277) has the molecular formula C26H37NO5Si and a molecular weight of 471.67 g/mol. Its IUPAC name is [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate
PubChem CID10814277
Molecular FormulaC26H37NO5Si
Molecular Weight471.67 g/mol
Exact Mass471.24
IUPAC Name[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate
SMILESCC(C)N(C(=O)c1cc(O)cc([Si](C)(C)C)c1OC(=O)[C@@H](C)[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C26H37NO5Si/c1-16(2)27(17(3)4)25(30)21-14-20(28)15-22(33(6,7)8)24(21)32-26(31)18(5)23(29)19-12-10-9-11-13-19/h9-18,23,28-29H,1-8H3/t18-,23-/m0/s1
InChIKeyNQCRDEZDPBCYQT-MBSDFSHPSA-N
XLogP4.47
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate 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

(2,6-dimethylphenyl) (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 12561810
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
CID 102092739
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
2-[dimethyl(trimethylsilyl)silyl]-N,N-di(propan-2-yl)benzamide
CID 163323510
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
[2,6-di(propan-2-yl)phenyl] 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200141
[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 15423381
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
CID 102439539

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate?
The IUPAC name of [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate (CID 10814277) is [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate.
What is the SMILES notation for [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate?
The canonical SMILES for [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate is CC(C)N(C(=O)c1cc(O)cc([Si](C)(C)C)c1OC(=O)[C@@H](C)[C@H](O)c1ccccc1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate?
The InChIKey is NQCRDEZDPBCYQT-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H37NO5Si/c1-16(2)27(17(3)4)25(30)21-14-20(28)15-22(33(6,7)8)24(21)32-26(31)18(5)23(29)19-12-10-9-11-13-19/h9-18,23,28-29H,1-8H3/t18-,23-/m0/s1.
What are the key properties of [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate?
[2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate has a molecular weight of 471.67 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)carbamoyl]-4-hydroxy-6-trimethylsilylphenyl] (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 10814277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).