[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

C26H38N2O5Si — CID 174237238

IUPAC[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(CC(CO)NC(=O)C(Cc2ccccc2)NC(=O)O)c1
InChIInChI=1S/C26H38N2O5Si/c1-18-12-13-23(33-34(5,6)26(2,3)4)20(14-18)16-21(17-29)27-24(30)22(28-25(31)32)15-19-10-8-7-9-11-19/h7-14,21-22,28-29H,15-17H2,1-6H3,(H,27,30)(H,31,32)
InChIKeyRNSRCYJMMXOKEI-UHFFFAOYSA-N
MW486.69 g/mol
LogP4.28
Rot. Bonds10

About [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid

[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 174237238) has the molecular formula C26H38N2O5Si and a molecular weight of 486.69 g/mol. Its IUPAC name is [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID174237238
Molecular FormulaC26H38N2O5Si
Molecular Weight486.69 g/mol
Exact Mass486.25
IUPAC Name[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(CC(CO)NC(=O)C(Cc2ccccc2)NC(=O)O)c1
InChIInChI=1S/C26H38N2O5Si/c1-18-12-13-23(33-34(5,6)26(2,3)4)20(14-18)16-21(17-29)27-24(30)22(28-25(31)32)15-19-10-8-7-9-11-19/h7-14,21-22,28-29H,15-17H2,1-6H3,(H,27,30)(H,31,32)
InChIKeyRNSRCYJMMXOKEI-UHFFFAOYSA-N
XLogP4.28
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[(2S)-3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoate
CID 11007092
tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpentanamide
CID 101170780
benzyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 102575734
(2R)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-2-[[(2R)-4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]pentanamide
CID 58894162
(2S)-3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67531897
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
CID 70540620
(2R)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-2-[[(2R)-4-methyl-2-(propanoylamino)pentanoyl]amino]pentanamide
CID 71192185
[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 122529674
3-(2-hydroxy-5-methylphenyl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 174236922
tert-butyl N-[(2S)-1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyphenyl]-3-hydroxypropan-2-yl]carbamate
CID 102196365
N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 174237238) is [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is Cc1ccc(O[Si](C)(C)C(C)(C)C)c(CC(CO)NC(=O)C(Cc2ccccc2)NC(=O)O)c1.
What is the InChIKey of [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is RNSRCYJMMXOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O5Si/c1-18-12-13-23(33-34(5,6)26(2,3)4)20(14-18)16-21(17-29)27-24(30)22(28-25(31)32)15-19-10-8-7-9-11-19/h7-14,21-22,28-29H,15-17H2,1-6H3,(H,27,30)(H,31,32).
What are the key properties of [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid?
[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 486.69 g/mol, XLogP of 4.28, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[2-[tert-butyl(dimethyl)silyl]oxy-5-methylphenyl]-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 174237238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).