3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid

C28H33NO3Si — CID 15349853

IUPAC3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-21(2)19-26(29-27(30)23-13-7-4-8-14-23)33(20-22(3)28(31)32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22,26H,19-20H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyBKHWDYQDJBXFMY-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.35
Rot. Bonds10

About 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid

3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid (PubChem CID 15349853) has the molecular formula C28H33NO3Si and a molecular weight of 459.66 g/mol. Its IUPAC name is 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid
PubChem CID15349853
Molecular FormulaC28H33NO3Si
Molecular Weight459.66 g/mol
Exact Mass459.22
IUPAC Name3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO3Si/c1-21(2)19-26(29-27(30)23-13-7-4-8-14-23)33(20-22(3)28(31)32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22,26H,19-20H2,1-3H3,(H,29,30)(H,31,32)
InChIKeyBKHWDYQDJBXFMY-UHFFFAOYSA-N
XLogP4.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid 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

tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 15349855
3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid
CID 22967170
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
ethyl 2-benzamido-4-methylpentanoate
CID 12773376

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid (CID 15349853) is 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid is CC(C)CC(NC(=O)c1ccccc1)[Si](CC(C)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid?
The InChIKey is BKHWDYQDJBXFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3Si/c1-21(2)19-26(29-27(30)23-13-7-4-8-14-23)33(20-22(3)28(31)32,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,21-22,26H,19-20H2,1-3H3,(H,29,30)(H,31,32).
What are the key properties of 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid?
3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid has a molecular weight of 459.66 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid is sourced from PubChem (CID 15349853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).