2-methyl-N-phenyl-2-trimethylsilylheptanamide

C17H29NOSi — CID 10334484

IUPAC2-methyl-N-phenyl-2-trimethylsilylheptanamide
SMILESCCCCCC(C)(C(=O)Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi/c1-6-7-11-14-17(2,20(3,4)5)16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,18,19)
InChIKeyAAXNDTJMGRPODC-UHFFFAOYSA-N
MW291.51 g/mol
LogP5.30
Rot. Bonds7

About 2-methyl-N-phenyl-2-trimethylsilylheptanamide

2-methyl-N-phenyl-2-trimethylsilylheptanamide (PubChem CID 10334484) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is 2-methyl-N-phenyl-2-trimethylsilylheptanamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-2-trimethylsilylheptanamide
PubChem CID10334484
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Name2-methyl-N-phenyl-2-trimethylsilylheptanamide
SMILESCCCCCC(C)(C(=O)Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H29NOSi/c1-6-7-11-14-17(2,20(3,4)5)16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,18,19)
InChIKeyAAXNDTJMGRPODC-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-2-trimethylsilylheptanamide?
The IUPAC name of 2-methyl-N-phenyl-2-trimethylsilylheptanamide (CID 10334484) is 2-methyl-N-phenyl-2-trimethylsilylheptanamide.
What is the SMILES notation for 2-methyl-N-phenyl-2-trimethylsilylheptanamide?
The canonical SMILES for 2-methyl-N-phenyl-2-trimethylsilylheptanamide is CCCCCC(C)(C(=O)Nc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-phenyl-2-trimethylsilylheptanamide?
The InChIKey is AAXNDTJMGRPODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-6-7-11-14-17(2,20(3,4)5)16(19)18-15-12-9-8-10-13-15/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-N-phenyl-2-trimethylsilylheptanamide?
2-methyl-N-phenyl-2-trimethylsilylheptanamide has a molecular weight of 291.51 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-2-trimethylsilylheptanamide is sourced from PubChem (CID 10334484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).