[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate

C22H26N2O6Si — CID 11396593

IUPAC[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)O[Si](C)(C)OC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O6Si/c1-15(23-19(25)17-11-7-5-8-12-17)21(27)29-31(3,4)30-22(28)16(2)24-20(26)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,23,25)(H,24,26)
InChIKeyLQFNVRRRYGYWQP-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.41
Rot. Bonds8

About [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate

[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate (PubChem CID 11396593) has the molecular formula C22H26N2O6Si and a molecular weight of 442.54 g/mol. Its IUPAC name is [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate.

Molecular Properties

Compound Name[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
PubChem CID11396593
Molecular FormulaC22H26N2O6Si
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)O[Si](C)(C)OC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O6Si/c1-15(23-19(25)17-11-7-5-8-12-17)21(27)29-31(3,4)30-22(28)16(2)24-20(26)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,23,25)(H,24,26)
InChIKeyLQFNVRRRYGYWQP-UHFFFAOYSA-N
XLogP2.41
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-benzamidopropanoate
CID 6364617
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
propyl 2-benzamidopropanoate
CID 71628004
prop-2-enyl 2-benzamidopropanoate
CID 2910482
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006

Frequently Asked Questions

What is the IUPAC name of [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate?
The IUPAC name of [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate (CID 11396593) is [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate.
What is the SMILES notation for [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate?
The canonical SMILES for [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate is CC(NC(=O)c1ccccc1)C(=O)O[Si](C)(C)OC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate?
The InChIKey is LQFNVRRRYGYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6Si/c1-15(23-19(25)17-11-7-5-8-12-17)21(27)29-31(3,4)30-22(28)16(2)24-20(26)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate?
[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate has a molecular weight of 442.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate is sourced from PubChem (CID 11396593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).