1,3-dimethyl-1-propoxyurea

C6H14N2O2 — CID 121226994

IUPAC1,3-dimethyl-1-propoxyurea
SMILESCCCON(C)C(=O)NC
InChIInChI=1S/C6H14N2O2/c1-4-5-10-8(3)6(9)7-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyPQGXARSNUDRLMP-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.60
Rot. Bonds3

About 1,3-dimethyl-1-propoxyurea

1,3-dimethyl-1-propoxyurea (PubChem CID 121226994) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,3-dimethyl-1-propoxyurea.

Molecular Properties

Compound Name1,3-dimethyl-1-propoxyurea
PubChem CID121226994
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1,3-dimethyl-1-propoxyurea
SMILESCCCON(C)C(=O)NC
InChIInChI=1S/C6H14N2O2/c1-4-5-10-8(3)6(9)7-2/h4-5H2,1-3H3,(H,7,9)
InChIKeyPQGXARSNUDRLMP-UHFFFAOYSA-N
XLogP0.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-propoxyurea?
The IUPAC name of 1,3-dimethyl-1-propoxyurea (CID 121226994) is 1,3-dimethyl-1-propoxyurea.
What is the SMILES notation for 1,3-dimethyl-1-propoxyurea?
The canonical SMILES for 1,3-dimethyl-1-propoxyurea is CCCON(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-propoxyurea?
The InChIKey is PQGXARSNUDRLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4-5-10-8(3)6(9)7-2/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 1,3-dimethyl-1-propoxyurea?
1,3-dimethyl-1-propoxyurea has a molecular weight of 146.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-propoxyurea is sourced from PubChem (CID 121226994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).