2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide

C22H31NO3Si — CID 89171443

IUPAC2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide
SMILESCCC(CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C22H31NO3Si/c1-6-18(21(24)23(4)26-5)17-22(2,3)27(25,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,25H,6,17H2,1-5H3
InChIKeyHIGJJCYILOQKLT-UHFFFAOYSA-N
MW385.58 g/mol
LogP2.95
Rot. Bonds8

About 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide

2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide (PubChem CID 89171443) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide
PubChem CID89171443
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide
SMILESCCC(CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C22H31NO3Si/c1-6-18(21(24)23(4)26-5)17-22(2,3)27(25,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,25H,6,17H2,1-5H3
InChIKeyHIGJJCYILOQKLT-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide?
The IUPAC name of 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide (CID 89171443) is 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide.
What is the SMILES notation for 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide?
The canonical SMILES for 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide is CCC(CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(=O)N(C)OC.
What is the InChIKey of 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide?
The InChIKey is HIGJJCYILOQKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-6-18(21(24)23(4)26-5)17-22(2,3)27(25,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,25H,6,17H2,1-5H3.
What are the key properties of 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide?
2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide has a molecular weight of 385.58 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide is sourced from PubChem (CID 89171443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).