1-(2-methoxy-2-methylpropyl)-3-methylurea

C7H16N2O2 — CID 115660964

IUPAC1-(2-methoxy-2-methylpropyl)-3-methylurea
SMILESCNC(=O)NCC(C)(C)OC
InChIInChI=1S/C7H16N2O2/c1-7(2,11-4)5-9-6(10)8-3/h5H2,1-4H3,(H2,8,9,10)
InChIKeyOWFXOZGXOASAGN-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.34
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)-3-methylurea

1-(2-methoxy-2-methylpropyl)-3-methylurea (PubChem CID 115660964) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-3-methylurea
PubChem CID115660964
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(2-methoxy-2-methylpropyl)-3-methylurea
SMILESCNC(=O)NCC(C)(C)OC
InChIInChI=1S/C7H16N2O2/c1-7(2,11-4)5-9-6(10)8-3/h5H2,1-4H3,(H2,8,9,10)
InChIKeyOWFXOZGXOASAGN-UHFFFAOYSA-N
XLogP0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methoxy-2-methylpropyl)acetamide
CID 104759825
3,3,3-trifluoro-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 113450651
3-methoxy-4-[(2-methoxy-2-methylpropyl)carbamoylamino]butanoic acid
CID 103159931
1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-methoxy-2-methylpropyl)urea
CID 111508605
1-methyl-3-[3-(methylamino)-2,2-bis(methylaminomethyl)propyl]urea
CID 22381440
2-(ethylamino)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761328
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673
5-[(2-methoxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 104573930
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
(3S)-3-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 104764025
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874
1-hydroxy-N-(2-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 111485529

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-methylurea?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-methylurea (CID 115660964) is 1-(2-methoxy-2-methylpropyl)-3-methylurea.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-3-methylurea?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-3-methylurea is CNC(=O)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-3-methylurea?
The InChIKey is OWFXOZGXOASAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,11-4)5-9-6(10)8-3/h5H2,1-4H3,(H2,8,9,10).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-3-methylurea?
1-(2-methoxy-2-methylpropyl)-3-methylurea has a molecular weight of 160.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-3-methylurea is sourced from PubChem (CID 115660964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).