3-(3-methoxypropyl)-1,1-dimethylurea

C7H16N2O2 — CID 45088657

IUPAC3-(3-methoxypropyl)-1,1-dimethylurea
SMILESCOCCCNC(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-9(2)7(10)8-5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyATHYVSLPGNFXND-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.29
Rot. Bonds4

About 3-(3-methoxypropyl)-1,1-dimethylurea

3-(3-methoxypropyl)-1,1-dimethylurea (PubChem CID 45088657) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,1-dimethylurea
PubChem CID45088657
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-(3-methoxypropyl)-1,1-dimethylurea
SMILESCOCCCNC(=O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-9(2)7(10)8-5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyATHYVSLPGNFXND-UHFFFAOYSA-N
XLogP0.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
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 3-(3-methoxypropyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-methoxypropyl)-1,1-dimethylurea (CID 45088657) is 3-(3-methoxypropyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-methoxypropyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-methoxypropyl)-1,1-dimethylurea is COCCCNC(=O)N(C)C.
What is the InChIKey of 3-(3-methoxypropyl)-1,1-dimethylurea?
The InChIKey is ATHYVSLPGNFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(2)7(10)8-5-4-6-11-3/h4-6H2,1-3H3,(H,8,10).
What are the key properties of 3-(3-methoxypropyl)-1,1-dimethylurea?
3-(3-methoxypropyl)-1,1-dimethylurea has a molecular weight of 160.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,1-dimethylurea is sourced from PubChem (CID 45088657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).