1,3-bis(3-methoxypropyl)urea

C9H20N2O3 — CID 57055176

IUPAC1,3-bis(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCCOC
InChIInChI=1S/C9H20N2O3/c1-13-7-3-5-10-9(12)11-6-4-8-14-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyGAQWAUFVMNLQMG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.36
Rot. Bonds8

About 1,3-bis(3-methoxypropyl)urea

1,3-bis(3-methoxypropyl)urea (PubChem CID 57055176) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3-bis(3-methoxypropyl)urea.

Molecular Properties

Compound Name1,3-bis(3-methoxypropyl)urea
PubChem CID57055176
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1,3-bis(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCCOC
InChIInChI=1S/C9H20N2O3/c1-13-7-3-5-10-9(12)11-6-4-8-14-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyGAQWAUFVMNLQMG-UHFFFAOYSA-N
XLogP0.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bis(3-methoxypropyl)urea?
The IUPAC name of 1,3-bis(3-methoxypropyl)urea (CID 57055176) is 1,3-bis(3-methoxypropyl)urea.
What is the SMILES notation for 1,3-bis(3-methoxypropyl)urea?
The canonical SMILES for 1,3-bis(3-methoxypropyl)urea is COCCCNC(=O)NCCCOC.
What is the InChIKey of 1,3-bis(3-methoxypropyl)urea?
The InChIKey is GAQWAUFVMNLQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-13-7-3-5-10-9(12)11-6-4-8-14-2/h3-8H2,1-2H3,(H2,10,11,12).
What are the key properties of 1,3-bis(3-methoxypropyl)urea?
1,3-bis(3-methoxypropyl)urea has a molecular weight of 204.27 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methoxypropyl)urea is sourced from PubChem (CID 57055176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).