1,1-diethyl-3-methylurea;methane;propane

C13H38N2O — CID 160547230

IUPAC1,1-diethyl-3-methylurea;methane;propane
SMILESC.C.C.C.CCC.CCN(CC)C(=O)NC
InChIInChI=1S/C6H14N2O.C3H8.4CH4/c1-4-8(5-2)6(9)7-3;1-3-2;;;;/h4-5H2,1-3H3,(H,7,9);3H2,1-2H3;4*1H4
InChIKeyQXOZNWBOHTUQQE-UHFFFAOYSA-N
MW238.46 g/mol
LogP4.63
Rot. Bonds2

About 1,1-diethyl-3-methylurea;methane;propane

1,1-diethyl-3-methylurea;methane;propane (PubChem CID 160547230) has the molecular formula C13H38N2O and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,1-diethyl-3-methylurea;methane;propane.

Molecular Properties

Compound Name1,1-diethyl-3-methylurea;methane;propane
PubChem CID160547230
Molecular FormulaC13H38N2O
Molecular Weight238.46 g/mol
Exact Mass238.30
IUPAC Name1,1-diethyl-3-methylurea;methane;propane
SMILESC.C.C.C.CCC.CCN(CC)C(=O)NC
InChIInChI=1S/C6H14N2O.C3H8.4CH4/c1-4-8(5-2)6(9)7-3;1-3-2;;;;/h4-5H2,1-3H3,(H,7,9);3H2,1-2H3;4*1H4
InChIKeyQXOZNWBOHTUQQE-UHFFFAOYSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
CID 161144645
CID 161144645
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
3-(diethylcarbamoylamino)-1,1-dimethylurea
CID 54356119
3-methyl-1,1-bis(2-methylpropyl)urea
CID 15539164
3-methyl-1-pentyl-1-propylurea
CID 134269758
N-ethyl-N-(methylcarbamoyl)propanamide
CID 140999162
N',N'-diethyl-N-methylbutanediamide
CID 177056307
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
CID 143767682
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methylurea;methane;propane?
The IUPAC name of 1,1-diethyl-3-methylurea;methane;propane (CID 160547230) is 1,1-diethyl-3-methylurea;methane;propane.
What is the SMILES notation for 1,1-diethyl-3-methylurea;methane;propane?
The canonical SMILES for 1,1-diethyl-3-methylurea;methane;propane is C.C.C.C.CCC.CCN(CC)C(=O)NC.
What is the InChIKey of 1,1-diethyl-3-methylurea;methane;propane?
The InChIKey is QXOZNWBOHTUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C3H8.4CH4/c1-4-8(5-2)6(9)7-3;1-3-2;;;;/h4-5H2,1-3H3,(H,7,9);3H2,1-2H3;4*1H4.
What are the key properties of 1,1-diethyl-3-methylurea;methane;propane?
1,1-diethyl-3-methylurea;methane;propane has a molecular weight of 238.46 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methylurea;methane;propane is sourced from PubChem (CID 160547230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).