1-tri(propan-2-yl)silylindole-3-carboxamide

C18H28N2OSi — CID 173113121

IUPAC1-tri(propan-2-yl)silylindole-3-carboxamide
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C18H28N2OSi/c1-12(2)22(13(3)4,14(5)6)20-11-16(18(19)21)15-9-7-8-10-17(15)20/h7-14H,1-6H3,(H2,19,21)
InChIKeyUANJNUPECJQSNP-UHFFFAOYSA-N
MW316.52 g/mol
LogP4.76
Rot. Bonds5

About 1-tri(propan-2-yl)silylindole-3-carboxamide

1-tri(propan-2-yl)silylindole-3-carboxamide (PubChem CID 173113121) has the molecular formula C18H28N2OSi and a molecular weight of 316.52 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silylindole-3-carboxamide.

Molecular Properties

Compound Name1-tri(propan-2-yl)silylindole-3-carboxamide
PubChem CID173113121
Molecular FormulaC18H28N2OSi
Molecular Weight316.52 g/mol
Exact Mass316.20
IUPAC Name1-tri(propan-2-yl)silylindole-3-carboxamide
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(N)=O)c2ccccc21
InChIInChI=1S/C18H28N2OSi/c1-12(2)22(13(3)4,14(5)6)20-11-16(18(19)21)15-9-7-8-10-17(15)20/h7-14H,1-6H3,(H2,19,21)
InChIKeyUANJNUPECJQSNP-UHFFFAOYSA-N
XLogP4.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
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 1-tri(propan-2-yl)silylindole-3-carboxamide?
The IUPAC name of 1-tri(propan-2-yl)silylindole-3-carboxamide (CID 173113121) is 1-tri(propan-2-yl)silylindole-3-carboxamide.
What is the SMILES notation for 1-tri(propan-2-yl)silylindole-3-carboxamide?
The canonical SMILES for 1-tri(propan-2-yl)silylindole-3-carboxamide is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-tri(propan-2-yl)silylindole-3-carboxamide?
The InChIKey is UANJNUPECJQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OSi/c1-12(2)22(13(3)4,14(5)6)20-11-16(18(19)21)15-9-7-8-10-17(15)20/h7-14H,1-6H3,(H2,19,21).
What are the key properties of 1-tri(propan-2-yl)silylindole-3-carboxamide?
1-tri(propan-2-yl)silylindole-3-carboxamide has a molecular weight of 316.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silylindole-3-carboxamide is sourced from PubChem (CID 173113121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).