[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate

C13H19NO3 — CID 117064047

IUPAC[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)NO
InChIInChI=1S/C13H19NO3/c1-8(2)10-6-5-7-11(9(3)4)12(10)17-13(15)14-16/h5-9,16H,1-4H3,(H,14,15)
InChIKeyQTITVRXVGKVEKH-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.41
Rot. Bonds3

About [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate

[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate (PubChem CID 117064047) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
PubChem CID117064047
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)NO
InChIInChI=1S/C13H19NO3/c1-8(2)10-6-5-7-11(9(3)4)12(10)17-13(15)14-16/h5-9,16H,1-4H3,(H,14,15)
InChIKeyQTITVRXVGKVEKH-UHFFFAOYSA-N
XLogP3.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
CID 118909693
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
CID 15675184
[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
(2-butan-2-yl-6-propan-2-ylphenyl) N-[(1R)-1-phenylethyl]carbamate
CID 59509797
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
[2,6-di(propan-2-yl)phenyl] N-(dihexylsulfamoyl)carbamate
CID 10766697
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
[2,6-di(propan-2-yl)phenyl] 3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
CID 101200141
(2-cyano-6-propan-2-ylphenyl) methyl carbonate
CID 134168255
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055
[2,6-di(propan-2-yl)phenyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 68534032

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate (CID 117064047) is [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate is CC(C)c1cccc(C(C)C)c1OC(=O)NO.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate?
The InChIKey is QTITVRXVGKVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)10-6-5-7-11(9(3)4)12(10)17-13(15)14-16/h5-9,16H,1-4H3,(H,14,15).
What are the key properties of [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate?
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate has a molecular weight of 237.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate is sourced from PubChem (CID 117064047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).