4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid

C14H24N2O2Si2 — CID 22421328

IUPAC4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid
SMILES[H]/N=C(\c1ccc(C(=O)O)cc1)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H24N2O2Si2/c1-19(2,3)16(20(4,5)6)13(15)11-7-9-12(10-8-11)14(17)18/h7-10,15H,1-6H3,(H,17,18)/b15-13+
InChIKeyFHZISERRWJDNHJ-FYWRMAATSA-N
MW308.53 g/mol
LogP3.68
Rot. Bonds4

About 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid

4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid (PubChem CID 22421328) has the molecular formula C14H24N2O2Si2 and a molecular weight of 308.53 g/mol. Its IUPAC name is 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid.

Molecular Properties

Compound Name4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid
PubChem CID22421328
Molecular FormulaC14H24N2O2Si2
Molecular Weight308.53 g/mol
Exact Mass308.14
IUPAC Name4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid
SMILES[H]/N=C(\c1ccc(C(=O)O)cc1)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H24N2O2Si2/c1-19(2,3)16(20(4,5)6)13(15)11-7-9-12(10-8-11)14(17)18/h7-10,15H,1-6H3,(H,17,18)/b15-13+
InChIKeyFHZISERRWJDNHJ-FYWRMAATSA-N
XLogP3.68
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid?
The IUPAC name of 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid (CID 22421328) is 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid.
What is the SMILES notation for 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid?
The canonical SMILES for 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid is [H]/N=C(\c1ccc(C(=O)O)cc1)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid?
The InChIKey is FHZISERRWJDNHJ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H24N2O2Si2/c1-19(2,3)16(20(4,5)6)13(15)11-7-9-12(10-8-11)14(17)18/h7-10,15H,1-6H3,(H,17,18)/b15-13+.
What are the key properties of 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid?
4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid has a molecular weight of 308.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoic acid is sourced from PubChem (CID 22421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).