3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide

C20H26N2O2Si — CID 173064426

IUPAC3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide
SMILESCCCC[Si](C)(C)c1ccc(-c2ccccc2)c(C(N)=O)c1C(N)=O
InChIInChI=1S/C20H26N2O2Si/c1-4-5-13-25(2,3)16-12-11-15(14-9-7-6-8-10-14)17(19(21)23)18(16)20(22)24/h6-12H,4-5,13H2,1-3H3,(H2,21,23)(H2,22,24)
InChIKeyKDRKNKBPQWCSPT-UHFFFAOYSA-N
MW354.53 g/mol
LogP3.27
Rot. Bonds7

About 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide

3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide (PubChem CID 173064426) has the molecular formula C20H26N2O2Si and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide
PubChem CID173064426
Molecular FormulaC20H26N2O2Si
Molecular Weight354.53 g/mol
Exact Mass354.18
IUPAC Name3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide
SMILESCCCC[Si](C)(C)c1ccc(-c2ccccc2)c(C(N)=O)c1C(N)=O
InChIInChI=1S/C20H26N2O2Si/c1-4-5-13-25(2,3)16-12-11-15(14-9-7-6-8-10-14)17(19(21)23)18(16)20(22)24/h6-12H,4-5,13H2,1-3H3,(H2,21,23)(H2,22,24)
InChIKeyKDRKNKBPQWCSPT-UHFFFAOYSA-N
XLogP3.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide?
The IUPAC name of 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide (CID 173064426) is 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide is CCCC[Si](C)(C)c1ccc(-c2ccccc2)c(C(N)=O)c1C(N)=O.
What is the InChIKey of 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide?
The InChIKey is KDRKNKBPQWCSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2Si/c1-4-5-13-25(2,3)16-12-11-15(14-9-7-6-8-10-14)17(19(21)23)18(16)20(22)24/h6-12H,4-5,13H2,1-3H3,(H2,21,23)(H2,22,24).
What are the key properties of 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide?
3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide has a molecular weight of 354.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethyl)silyl]-6-phenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 173064426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).