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

C7H16N2O2 — CID 115595338

IUPAC1-(3-methoxypropyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CCCOC
InChIInChI=1S/C7H16N2O2/c1-8-7(10)9(2)5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyKKDNDTHILSFRNY-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.29
Rot. Bonds4

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

1-(3-methoxypropyl)-1,3-dimethylurea (PubChem CID 115595338) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1,3-dimethylurea
PubChem CID115595338
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(3-methoxypropyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CCCOC
InChIInChI=1S/C7H16N2O2/c1-8-7(10)9(2)5-4-6-11-3/h4-6H2,1-3H3,(H,8,10)
InChIKeyKKDNDTHILSFRNY-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'}

Analyze 1-(3-methoxypropyl)-1,3-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1,3-dimethylurea?
The IUPAC name of 1-(3-methoxypropyl)-1,3-dimethylurea (CID 115595338) is 1-(3-methoxypropyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(3-methoxypropyl)-1,3-dimethylurea?
The canonical SMILES for 1-(3-methoxypropyl)-1,3-dimethylurea is CNC(=O)N(C)CCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-1,3-dimethylurea?
The InChIKey is KKDNDTHILSFRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-8-7(10)9(2)5-4-6-11-3/h4-6H2,1-3H3,(H,8,10).
What are the key properties of 1-(3-methoxypropyl)-1,3-dimethylurea?
1-(3-methoxypropyl)-1,3-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 1-(3-methoxypropyl)-1,3-dimethylurea is sourced from PubChem (CID 115595338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).