[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid

C16H26N2O5Si — CID 87591455

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
SMILESCON(C)C(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)O
InChIInChI=1S/C16H26N2O5Si/c1-16(2,3)24(6,7)23-11-8-9-13(17-15(20)21)12(10-11)14(19)18(4)22-5/h8-10,17H,1-7H3,(H,20,21)
InChIKeyQVACZIGGOQZILK-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.79
Rot. Bonds5

About [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid

[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid (PubChem CID 87591455) has the molecular formula C16H26N2O5Si and a molecular weight of 354.48 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
PubChem CID87591455
Molecular FormulaC16H26N2O5Si
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
SMILESCON(C)C(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)O
InChIInChI=1S/C16H26N2O5Si/c1-16(2,3)24(6,7)23-11-8-9-13(17-15(20)21)12(10-11)14(19)18(4)22-5/h8-10,17H,1-7H3,(H,20,21)
InChIKeyQVACZIGGOQZILK-UHFFFAOYSA-N
XLogP3.79
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid (CID 87591455) is [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid is CON(C)C(=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1NC(=O)O.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid?
The InChIKey is QVACZIGGOQZILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5Si/c1-16(2,3)24(6,7)23-11-8-9-13(17-15(20)21)12(10-11)14(19)18(4)22-5/h8-10,17H,1-7H3,(H,20,21).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid?
[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid has a molecular weight of 354.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid is sourced from PubChem (CID 87591455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).