2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate

C18H28NO6Si2- — CID 158418728

IUPAC2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate
SMILESCC(=O)c1ccc(C(=O)N(C[SiH2]OC(C)C)C[SiH2]OC(C)C)cc1C(=O)[O-]
InChIInChI=1S/C18H29NO6Si2/c1-11(2)24-26-9-19(10-27-25-12(3)4)17(21)14-6-7-15(13(5)20)16(8-14)18(22)23/h6-8,11-12H,9-10,26-27H2,1-5H3,(H,22,23)/p-1
InChIKeyHAFMYGOALVSMBH-UHFFFAOYSA-M
MW410.60 g/mol
LogP-0.37
Rot. Bonds11

About 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate

2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate (PubChem CID 158418728) has the molecular formula C18H28NO6Si2- and a molecular weight of 410.60 g/mol. Its IUPAC name is 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate
PubChem CID158418728
Molecular FormulaC18H28NO6Si2-
Molecular Weight410.60 g/mol
Exact Mass410.15
IUPAC Name2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate
SMILESCC(=O)c1ccc(C(=O)N(C[SiH2]OC(C)C)C[SiH2]OC(C)C)cc1C(=O)[O-]
InChIInChI=1S/C18H29NO6Si2/c1-11(2)24-26-9-19(10-27-25-12(3)4)17(21)14-6-7-15(13(5)20)16(8-14)18(22)23/h6-8,11-12H,9-10,26-27H2,1-5H3,(H,22,23)/p-1
InChIKeyHAFMYGOALVSMBH-UHFFFAOYSA-M
XLogP-0.37
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate?
The IUPAC name of 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate (CID 158418728) is 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate.
What is the SMILES notation for 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate?
The canonical SMILES for 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate is CC(=O)c1ccc(C(=O)N(C[SiH2]OC(C)C)C[SiH2]OC(C)C)cc1C(=O)[O-].
What is the InChIKey of 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate?
The InChIKey is HAFMYGOALVSMBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H29NO6Si2/c1-11(2)24-26-9-19(10-27-25-12(3)4)17(21)14-6-7-15(13(5)20)16(8-14)18(22)23/h6-8,11-12H,9-10,26-27H2,1-5H3,(H,22,23)/p-1.
What are the key properties of 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate?
2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate has a molecular weight of 410.60 g/mol, XLogP of -0.37, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-[bis(propan-2-yloxysilylmethyl)carbamoyl]benzoate is sourced from PubChem (CID 158418728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).