[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid

C10H14BNO4 — CID 177254700

IUPAC[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid
SMILESCOB(O)Oc1ccccc1C(=O)N(C)C
InChIInChI=1S/C10H14BNO4/c1-12(2)10(13)8-6-4-5-7-9(8)16-11(14)15-3/h4-7,14H,1-3H3
InChIKeyDOIRJGUIVZXSRK-UHFFFAOYSA-N
MW223.04 g/mol
LogP0.39
Rot. Bonds4

About [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid

[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid (PubChem CID 177254700) has the molecular formula C10H14BNO4 and a molecular weight of 223.04 g/mol. Its IUPAC name is [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid.

Molecular Properties

Compound Name[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid
PubChem CID177254700
Molecular FormulaC10H14BNO4
Molecular Weight223.04 g/mol
Exact Mass223.10
IUPAC Name[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid
SMILESCOB(O)Oc1ccccc1C(=O)N(C)C
InChIInChI=1S/C10H14BNO4/c1-12(2)10(13)8-6-4-5-7-9(8)16-11(14)15-3/h4-7,14H,1-3H3
InChIKeyDOIRJGUIVZXSRK-UHFFFAOYSA-N
XLogP0.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
[2-(dimethylcarbamoyl)phenyl] cyanate
CID 163835020
[2-[di(propan-2-yl)carbamoyl]phenoxy]boronic acid
CID 142726714
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879
2-(6-chloro-2-methylpyrimidin-4-yl)oxy-N,N-dimethylbenzamide
CID 88853958
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
N,N-dimethyl-2-(4-nitrophenoxy)benzamide
CID 70538094
carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 134899208
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-3-propoxybenzamide
CID 67704305

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid?
The IUPAC name of [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid (CID 177254700) is [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid.
What is the SMILES notation for [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid?
The canonical SMILES for [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid is COB(O)Oc1ccccc1C(=O)N(C)C.
What is the InChIKey of [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid?
The InChIKey is DOIRJGUIVZXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO4/c1-12(2)10(13)8-6-4-5-7-9(8)16-11(14)15-3/h4-7,14H,1-3H3.
What are the key properties of [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid?
[2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid has a molecular weight of 223.04 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyl)phenoxy]-methoxyborinic acid is sourced from PubChem (CID 177254700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).