1-(3-methoxypropyl)-3-methylurea

C6H14N2O2 — CID 17171368

IUPAC1-(3-methoxypropyl)-3-methylurea
SMILESCNC(=O)NCCCOC
InChIInChI=1S/C6H14N2O2/c1-7-6(9)8-4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyQYRGSQSUYFZAQP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.05
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylurea

1-(3-methoxypropyl)-3-methylurea (PubChem CID 17171368) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylurea
PubChem CID17171368
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-(3-methoxypropyl)-3-methylurea
SMILESCNC(=O)NCCCOC
InChIInChI=1S/C6H14N2O2/c1-7-6(9)8-4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyQYRGSQSUYFZAQP-UHFFFAOYSA-N
XLogP-0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylurea?
The IUPAC name of 1-(3-methoxypropyl)-3-methylurea (CID 17171368) is 1-(3-methoxypropyl)-3-methylurea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylurea?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylurea is CNC(=O)NCCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylurea?
The InChIKey is QYRGSQSUYFZAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-7-6(9)8-4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-(3-methoxypropyl)-3-methylurea?
1-(3-methoxypropyl)-3-methylurea has a molecular weight of 146.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylurea is sourced from PubChem (CID 17171368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).