1,3-diethoxy-1-methylurea

C6H14N2O3 — CID 54083369

IUPAC1,3-diethoxy-1-methylurea
SMILESCCONC(=O)N(C)OCC
InChIInChI=1S/C6H14N2O3/c1-4-10-7-6(9)8(3)11-5-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyMORVUBQIWURQLA-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.53
Rot. Bonds4

About 1,3-diethoxy-1-methylurea

1,3-diethoxy-1-methylurea (PubChem CID 54083369) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,3-diethoxy-1-methylurea.

Molecular Properties

Compound Name1,3-diethoxy-1-methylurea
PubChem CID54083369
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1,3-diethoxy-1-methylurea
SMILESCCONC(=O)N(C)OCC
InChIInChI=1S/C6H14N2O3/c1-4-10-7-6(9)8(3)11-5-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyMORVUBQIWURQLA-UHFFFAOYSA-N
XLogP0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-N-methylacetamide
CID 23617223
3-ethoxy-1,1-diphenylurea
CID 162373128
3-(dimethylamino)-N-ethoxypropanamide
CID 78920148
1,3-dimethyl-1-propoxyurea
CID 121226994
N-ethoxy-2-methylpropanamide
CID 60717901
N-ethoxy-2,2-dimethylpropanamide
CID 60717899
N-ethoxy-2-oxoacetamide
CID 19818586
(E)-N-ethoxy-N-methylhex-4-enamide
CID 167292144
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
4-amino-N-ethoxybenzamide
CID 62058413
1-ethyl-1-methyl-3-(2-methylpropoxy)urea
CID 115752940
N-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 174754859

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-1-methylurea?
The IUPAC name of 1,3-diethoxy-1-methylurea (CID 54083369) is 1,3-diethoxy-1-methylurea.
What is the SMILES notation for 1,3-diethoxy-1-methylurea?
The canonical SMILES for 1,3-diethoxy-1-methylurea is CCONC(=O)N(C)OCC.
What is the InChIKey of 1,3-diethoxy-1-methylurea?
The InChIKey is MORVUBQIWURQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-4-10-7-6(9)8(3)11-5-2/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1,3-diethoxy-1-methylurea?
1,3-diethoxy-1-methylurea has a molecular weight of 162.19 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-1-methylurea is sourced from PubChem (CID 54083369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).