methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate

C7H15NO3 — CID 79387762

IUPACmethyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C7H15NO3/c1-7(2,10)5-8(3)6(9)11-4/h10H,5H2,1-4H3
InChIKeyCXAVMSMGXNNPBM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.46
Rot. Bonds2

About methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate

methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate (PubChem CID 79387762) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
PubChem CID79387762
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C7H15NO3/c1-7(2,10)5-8(3)6(9)11-4/h10H,5H2,1-4H3
InChIKeyCXAVMSMGXNNPBM-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
CID 167219999
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
2-(tert-butylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380358
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
CID 79389813
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828313
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate?
The IUPAC name of methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate (CID 79387762) is methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate is COC(=O)N(C)CC(C)(C)O.
What is the InChIKey of methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate?
The InChIKey is CXAVMSMGXNNPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,10)5-8(3)6(9)11-4/h10H,5H2,1-4H3.
What are the key properties of methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate?
methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate is sourced from PubChem (CID 79387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).