3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid

C22H29NO3Si — CID 22967170

IUPAC3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](C)(CCC(=O)O)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-17(2)16-20(23-22(26)18-10-6-4-7-11-18)27(3,15-14-21(24)25)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMXMQOPUXJVTKJU-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.83
Rot. Bonds9

About 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid

3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid (PubChem CID 22967170) has the molecular formula C22H29NO3Si and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid.

Molecular Properties

Compound Name3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid
PubChem CID22967170
Molecular FormulaC22H29NO3Si
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid
SMILESCC(C)CC(NC(=O)c1ccccc1)[Si](C)(CCC(=O)O)c1ccccc1
InChIInChI=1S/C22H29NO3Si/c1-17(2)16-20(23-22(26)18-10-6-4-7-11-18)27(3,15-14-21(24)25)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMXMQOPUXJVTKJU-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-benzamido-3-methylbutyl)-diphenylsilyl]-2-methylpropanoic acid
CID 15349853
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
tert-butyl (2S)-1-[3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 101185925
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
4-benzamido-3-methylbutanoic acid
CID 81064617
2-[[(2S)-2-(benzoylcarbamoylamino)-4-methylpentanoyl]amino]acetic acid
CID 71417227
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid?
The IUPAC name of 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid (CID 22967170) is 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid.
What is the SMILES notation for 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid?
The canonical SMILES for 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid is CC(C)CC(NC(=O)c1ccccc1)[Si](C)(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid?
The InChIKey is MXMQOPUXJVTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3Si/c1-17(2)16-20(23-22(26)18-10-6-4-7-11-18)27(3,15-14-21(24)25)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid?
3-[(1-benzamido-3-methylbutyl)-methyl-phenylsilyl]propanoic acid has a molecular weight of 383.56 g/mol, XLogP of 3.83, 9 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)-methyl-phenylsilyl]propanoic acid is sourced from PubChem (CID 22967170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).