trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate

C15H23NO3Si — CID 10780080

IUPACtrimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
SMILESCc1ccccc1C(=O)NCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-12-8-5-6-9-13(12)15(18)16-11-7-10-14(17)19-20(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyZXFZZMJXZGCBTQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.88
Rot. Bonds6

About trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate

trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate (PubChem CID 10780080) has the molecular formula C15H23NO3Si and a molecular weight of 293.44 g/mol. Its IUPAC name is trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
PubChem CID10780080
Molecular FormulaC15H23NO3Si
Molecular Weight293.44 g/mol
Exact Mass293.14
IUPAC Nametrimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
SMILESCc1ccccc1C(=O)NCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H23NO3Si/c1-12-8-5-6-9-13(12)15(18)16-11-7-10-14(17)19-20(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,18)
InChIKeyZXFZZMJXZGCBTQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 4-benzamidobutanoate
CID 10802651
trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
CID 10760551
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
trimethylsilyl 10-benzamidodecanoate
CID 10808726
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-hexyl-2-methylbenzamide
CID 3017102
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate?
The IUPAC name of trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate (CID 10780080) is trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate.
What is the SMILES notation for trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate?
The canonical SMILES for trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate is Cc1ccccc1C(=O)NCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate?
The InChIKey is ZXFZZMJXZGCBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3Si/c1-12-8-5-6-9-13(12)15(18)16-11-7-10-14(17)19-20(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,16,18).
What are the key properties of trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate?
trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate has a molecular weight of 293.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate is sourced from PubChem (CID 10780080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).