N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide

C22H31NOSi — CID 138966322

IUPACN-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide
SMILESCC(=O)NC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21
InChIInChI=1S/C22H31NOSi/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)23-18(7)24/h8-11,15-17H,14H2,1-7H3,(H,23,24)
InChIKeyJHNXZBDVYLQMDE-UHFFFAOYSA-N
MW353.58 g/mol
LogP5.31
Rot. Bonds4

About N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide

N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide (PubChem CID 138966322) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide
PubChem CID138966322
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC NameN-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide
SMILESCC(=O)NC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21
InChIInChI=1S/C22H31NOSi/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)23-18(7)24/h8-11,15-17H,14H2,1-7H3,(H,23,24)
InChIKeyJHNXZBDVYLQMDE-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.58
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide?
The IUPAC name of N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide (CID 138966322) is N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide.
What is the SMILES notation for N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide?
The canonical SMILES for N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide is CC(=O)NC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21.
What is the InChIKey of N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide?
The InChIKey is JHNXZBDVYLQMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-15(2)25(16(3)4,17(5)6)13-12-20-14-19-10-8-9-11-21(19)22(20)23-18(7)24/h8-11,15-17H,14H2,1-7H3,(H,23,24).
What are the key properties of N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide?
N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide has a molecular weight of 353.58 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-tri(propan-2-yl)silylethynyl]-3H-inden-1-yl]acetamide is sourced from PubChem (CID 138966322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).